Mrv0541 02241215352D          

  7  4  0  0  0  0            999 V2000
   -3.4234    0.2471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.9084    0.2471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0834   -0.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0834    0.0004    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0834    0.8246    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2584    0.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    0.0004    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  CHG  4   1   1   2   1   5  -1   7  -1
M  END
> <DATABASE_ID>
FDB013357

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)

> <INCHI_KEY>
MNNHAPBLZZVQHP-UHFFFAOYSA-N

> <FORMULA>
H9N2O4P

> <MOLECULAR_WEIGHT>
132.0562

> <EXACT_MASS>
132.029993298

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.2347000379981

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diammonium hydrogen phosphate

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
83.42

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
diammonium hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013357

> <GENERIC_NAME>
Diammonium hydrogen phosphate ((NH4)2HPO4)

$$$$