Mrv0541 02241216032D          

  6  4  0  0  0  0            999 V2000
   -0.0004    0.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.4853    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    2.3107    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1647   -2.3107    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END
> <DATABASE_ID>
FDB013363

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)

> <INCHI_KEY>
LFVGISIMTYGQHF-UHFFFAOYSA-N

> <FORMULA>
H6NO4P

> <MOLECULAR_WEIGHT>
115.0257

> <EXACT_MASS>
115.003444197

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.527164552344063

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ammonium dihydrogen 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>
80.59

> <JCHEM_REFRACTIVITY>
13.5302

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
ammonium dihydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013363

> <GENERIC_NAME>
Ammonium dihydrogenphosphate

$$$$