Mrv0541 02241214252D          

  6  3  0  0  0  0            999 V2000
   -0.4534   -0.6189    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3527   -0.6189    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3527    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    0.6189    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6921    0.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959   -0.6189    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  CHG  4   1   1   2  -1   4  -1   6   1
M  END
> <DATABASE_ID>
FDB014284

> <DATABASE_NAME>
foodb

> <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>
96.0858

> <EXACT_MASS>
96.053492132

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.5155256860644877

> <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_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618219

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <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>
diammonium carbonate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB014284

> <GENERIC_NAME>
Ammonium carbonate

$$$$