Mrv0541 02241218522D          

  6  4  0  0  0  0            999 V2000
    1.9384   -2.6400    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1133    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    1.8150    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384    1.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2892    1.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133    2.6400    0.0000 O   0  5  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
  3  6  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <DATABASE_ID>
FDB013364

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1

> <INCHI_KEY>
GNSKLFRGEWLPPA-UHFFFAOYSA-M

> <FORMULA>
H2KO4P

> <MOLECULAR_WEIGHT>
136.0855

> <EXACT_MASS>
135.932776925

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.527151169555154

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium 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>
potassium dihydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013364

> <GENERIC_NAME>
Potassium phosphate (K(H2PO4))

$$$$