Mrv1909 11242014292D          

  6  3  0  0  0  0            999 V2000
   -0.4190   -0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035    0.7110    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0201   -0.7110    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1892   -0.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1229    0.6827    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1892   -0.5180    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
M  CHG  4   2  -1   3  -1   5   1   6   1
M  END
> <DATABASE_ID>
DB15926

> <DATABASE_NAME>
drugbank

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

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

> <INCHI_KEY>
PRKQVKDSMLBJBJ-UHFFFAOYSA-N

> <FORMULA>
CH8N2O3

> <MOLECULAR_WEIGHT>
96.086

> <EXACT_MASS>
96.053492126

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.0006337308913795

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5154552300033064

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diammonium carbonate

> <ALOGPS_LOGP>
-0.53

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.90

> <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>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.56e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminacrine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB15926

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Ammonium carbonate

> <SYNONYMS>
Carbonic acid, diammonium salt; Crystal ammonia; Diammonium carbonate

> <PRODUCTS>
Bronchozone Cough Syrup Certified; Esprit D'ammoniaque Aromatique

$$$$