Mrv1652307031705292D          

  3  2  0  0  0  0            999 V2000
    0.7145   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  2  0  0  0  0
M  RAD  1   2   2
M  END
> <DATABASE_ID>
FDB013387

> <DATABASE_NAME>
foodb

> <SMILES>
O=[Cl]=O

> <INCHI_IDENTIFIER>
InChI=1S/ClO2/c2-1-3

> <INCHI_KEY>
OSVXSBDYLRYLIG-UHFFFAOYSA-N

> <FORMULA>
ClO2

> <MOLECULAR_WEIGHT>
67.45

> <EXACT_MASS>
66.9586819

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.786545742629145

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloryl

> <ALOGPS_LOGP>
-1.28

> <JCHEM_LOGP>
0.26456337466666663

> <ALOGPS_LOGS>
0.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
9.0221

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.72e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorine dioxide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB013387

> <GENERIC_NAME>
Chlorine oxide

$$$$