Mrv0541 02241217352D          

  5  3  0  0  0  0            999 V2000
   -0.7005   -1.0305    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7005   -0.2055    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0405    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0405    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005   -0.2055    0.0000 O   0  0  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  2   1   1   2  -1
M  END
> <DATABASE_ID>
FDB015417

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1

> <INCHI_KEY>
SCVFZCLFOSHCOH-UHFFFAOYSA-M

> <FORMULA>
C2H3KO2

> <MOLECULAR_WEIGHT>
98.1423

> <EXACT_MASS>
97.977011201

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955940651539537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium acetate

> <ALOGPS_LOGP>
-0.27

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.42e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium acetate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB015417

> <GENERIC_NAME>
Potassium acetate

$$$$