Mrv1718006281815402D          

  5  3  0  0  0  0            999 V2000
    1.4423   -0.0042    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6173    0.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423    0.0042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1990    0.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1990   -0.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
> <DATABASE_ID>
DBSALT002748

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/ClHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1

> <INCHI_KEY>
VKJKEPKFPUWCAS-UHFFFAOYSA-M

> <FORMULA>
ClKO3

> <MOLECULAR_WEIGHT>
122.55

> <EXACT_MASS>
121.9173031

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.565604727528822

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium chlorate

> <ALOGPS_LOGP>
-0.97

> <JCHEM_LOGP>
0.040962167666666695

> <ALOGPS_LOGS>
0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.6223785013074545

> <JCHEM_POLAR_SURFACE_AREA>
57.199999999999996

> <JCHEM_REFRACTIVITY>
10.465

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.17e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium chlorate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002748

> <NAME>
Potassium chlorate

> <DRUG_DRUGBANK_ID>
DB14150

> <DRUG_NAME>
Chloric acid

> <CAS_NUMBER>
3811-04-9

> <UNII>
H35KS68EE7

$$$$