Mrv1909 11242014182D          

  5  3  0  0  0  0            999 V2000
   -1.1610   -0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7584   -0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -0.6141    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7584   -0.5033    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
M  CHG  2   4  -1   5   1
M  END
> <DATABASE_ID>
DB15925

> <DATABASE_NAME>
drugbank

> <SMILES>
[NH4+].OC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3

> <INCHI_KEY>
ATRRKUHOCOJYRX-UHFFFAOYSA-N

> <FORMULA>
CH5NO3

> <MOLECULAR_WEIGHT>
79.055

> <EXACT_MASS>
79.026943025

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.0006337308913795

> <JCHEM_AVERAGE_POLARIZABILITY>
3.860787658301832

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ammonium hydrogen carbonate

> <ALOGPS_LOGP>
-0.20

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.32259950554

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.501076428435099

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
20.3353

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.32e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminacrine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15925

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Ammonium bicarbonate

> <SYNONYMS>
Ammonium hydrogen carbonate; Carbonic acid, monoammonium salt; Monoammonium carbonate

$$$$