1775
 OpenBabel05082101102D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.2451    2.1561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5529    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9379    0.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9943    1.8161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9982    0.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988    0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0331    1.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5535    0.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901   -0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5293    1.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5222   -0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689   -0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901   -1.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5299    1.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5222   -1.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4695   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562   -2.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1088   -0.3970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2064    2.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532   -0.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579    1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591   -0.5887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599   -0.8195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532   -2.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591   -2.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1409   -0.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562   -3.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3804    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
1775

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
350

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgAQAAAADIiBmAAxAILAAACIAiFSEACCAAAgAAAIiAGABIiIYDKAlTGUIAhohSIIiAcYiMCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
5,5-diphenylimidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_CAS_NAME>
5,5-diphenylimidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_NAME_MARKUP>
5,5-diphenylimidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_NAME>
5,5-diphenylimidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,5-diphenylimidazolidine-2,4-dione

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,5-diphenylhydantoin

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

>  <PUBCHEM_IUPAC_INCHIKEY>
CXOFVDLJLONNDW-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
2.5

>  <PUBCHEM_EXACT_MASS>
252.089878

>  <PUBCHEM_MOLECULAR_FORMULA>
C15H12N2O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
252.27

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

>  <PUBCHEM_CACTVS_TPSA>
58.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.089878

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
19

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  19  8
16  18  8
17  19  8
6  10  8
6  12  8
7  11  8
7  13  8

$$$$
