Mrv1718005101812352D          

  4  3  0  0  0  0            999 V2000
   -0.2062    0.3572    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13235

> <DATABASE_NAME>
drugbank

> <SMILES>
OOB=O

> <INCHI_IDENTIFIER>
InChI=1S/BHO3/c2-1-4-3/h3H

> <INCHI_KEY>
PEYVWSJAZONVQK-UHFFFAOYSA-N

> <FORMULA>
BHO3

> <MOLECULAR_WEIGHT>
59.82

> <EXACT_MASS>
60.001874

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.265874052077527

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
boranoylperoxol

> <JCHEM_LOGP>
0.4836000000000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.469728177757184

> <JCHEM_PKA_STRONGEST_BASIC>
-6.092540895051475

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
5.3577

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
boranoylperoxol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13235

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Perboric acid

> <PRODUCTS>
Amosan Oral Wound Cleanser; Amosan Wound Cleanser Cherry Flavour

> <SALTS>
Sodium perborate; Sodium perborate monohydrate

$$$$