Mrv1652305221920562D          

  3  2  0  0  0  0            999 V2000
    2.4750   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <DATABASE_ID>
FDB022834

> <DATABASE_NAME>
foodb

> <SMILES>
[O-][Cl]=O

> <INCHI_IDENTIFIER>
InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1

> <INCHI_KEY>
QBWCMBCROVPCKQ-UHFFFAOYSA-M

> <FORMULA>
ClO2

> <MOLECULAR_WEIGHT>
67.452

> <EXACT_MASS>
66.958681951

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.9128240052884733

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chlorite

> <ALOGPS_LOGP>
-0.91

> <JCHEM_LOGP>
0.17957803266666666

> <ALOGPS_LOGS>
0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-4.5703538868541544

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
9.0221

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.02e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorite

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022834

> <GENERIC_NAME>
Chlorite

$$$$