7019
 OpenBabel05082101102D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.6660   -1.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
7019

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
207

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQAAAADAiBHgAwwPJIEACgAyRiRACCgCAhAiAImCAwZJgIIOLA0dGEJAhggADIyAcQgMAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
acridin-9-amine

>  <PUBCHEM_IUPAC_CAS_NAME>
9-acridinamine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
acridin-9-amine

>  <PUBCHEM_IUPAC_NAME>
acridin-9-amine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
acridin-9-amine

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acridin-9-ylamine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)

>  <PUBCHEM_IUPAC_INCHIKEY>
XJGFWWJLMVZSIG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
2.8

>  <PUBCHEM_EXACT_MASS>
194.084398

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H10N2

>  <PUBCHEM_MOLECULAR_WEIGHT>
194.23

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N

>  <PUBCHEM_CACTVS_TPSA>
38.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
194.084398

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <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>
1  6  8
1  7  8
10  14  8
11  15  8
12  14  8
13  15  8
3  5  8
3  6  8
3  8  8
4  5  8
4  7  8
4  9  8
6  10  8
7  11  8
8  12  8
9  13  8

$$$$
