22985
 OpenBabel05082101102D

  9  7  0  0  0  0  0  0  0  0999 V2000
    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  5  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
    0.8660    4.0369    0.0000 N   0  3  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    4.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    3.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    4.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  CHG  4   1  -1   2  -1   4   1   5   1
M  END
>  <PUBCHEM_COMPOUND_CID>
22985

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
18.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAUAAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonium;nitrate

>  <PUBCHEM_IUPAC_CAS_NAME>
ammonium;nitrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
azanium;nitrate

>  <PUBCHEM_IUPAC_NAME>
azanium;nitrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanium;nitrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonium;nitrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1

>  <PUBCHEM_IUPAC_INCHIKEY>
DVARTQFDIMZBAA-UHFFFAOYSA-O

>  <PUBCHEM_EXACT_MASS>
80.022192

>  <PUBCHEM_MOLECULAR_FORMULA>
H4N2O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
80.044

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[NH4+].[N+](=O)([O-])[O-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[NH4+].[N+](=O)([O-])[O-]

>  <PUBCHEM_CACTVS_TPSA>
63.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
80.022192

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
5

>  <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

$$$$
