31295
 OpenBabel05082101102D

 13 11  0  0  0  0  0  0  0  0999 V2000
    2.2690    5.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
>  <PUBCHEM_COMPOUND_CID>
31295

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
53.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABgAUCAAAAAAAAAABAABAQAAJAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
nitric acid;urea

>  <PUBCHEM_IUPAC_CAS_NAME>
nitric acid;urea

>  <PUBCHEM_IUPAC_NAME_MARKUP>
nitric acid;urea

>  <PUBCHEM_IUPAC_NAME>
nitric acid;urea

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nitric acid;urea

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nitric acid;urea

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)

>  <PUBCHEM_IUPAC_INCHIKEY>
AYTGUZPQPXGYFS-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
123.028006

>  <PUBCHEM_MOLECULAR_FORMULA>
CH5N3O4

>  <PUBCHEM_MOLECULAR_WEIGHT>
123.07

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)(N)N.[N+](=O)(O)[O-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)(N)N.[N+](=O)(O)[O-]

>  <PUBCHEM_CACTVS_TPSA>
135

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
123.028006

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
8

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
