Mrv1718006281815342D          

  5  4  0  0  0  0            999 V2000
    0.0000   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14150

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]O[Cl](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)

> <INCHI_KEY>
XTEGARKTQYYJKE-UHFFFAOYSA-N

> <FORMULA>
ClHO3

> <MOLECULAR_WEIGHT>
84.459

> <EXACT_MASS>
83.961421605

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.914196624292505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloric acid

> <ALOGPS_LOGP>
-1.22

> <JCHEM_LOGP>
0.040962167666666695

> <ALOGPS_LOGS>
0.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.6223785013074545

> <JCHEM_POLAR_SURFACE_AREA>
54.37

> <JCHEM_REFRACTIVITY>
11.5867

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloric acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14150

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Chloric acid

> <SYNONYMS>
Chlorate; Chlorsäure

> <PRODUCTS>
Aquacid-100; Aquacid-120; Aquacid-200; Aquacid-220; CLO2--Portable sterilization card; Dry-cid; Hemodialysis Acid Concentrate; Polyethylene Glycol 3350 and electrolytes - Unflavored; Truemed Group LLC

> <SALTS>
Potassium chlorate; Sodium chlorate

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