Mrv1718005101812392D          

  5  3  0  0  0  0            999 V2000
    0.6187   -0.3572    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    0.3572    0.0000 O   0  5  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
   -1.4438    0.3572    0.0000 Na  0  3  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  CHG  2   3  -1   5   1
M  END
> <DATABASE_ID>
DBSALT002697

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[O-]OB=O

> <INCHI_IDENTIFIER>
InChI=1S/BHO3.Na/c2-1-4-3;/h3H;/q;+1/p-1

> <INCHI_KEY>
YKLJGMBLPUQQOI-UHFFFAOYSA-M

> <FORMULA>
BNaO3

> <MOLECULAR_WEIGHT>
81.8

> <EXACT_MASS>
81.983818

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
3.9489371506717426

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium [(oxoboranyl)oxy]olate

> <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>
49.36

> <JCHEM_REFRACTIVITY>
4.236000000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium perborate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002697

> <NAME>
Sodium perborate

> <DRUG_DRUGBANK_ID>
DB13235

> <DRUG_NAME>
Perboric acid

> <CAS_NUMBER>
7632-04-4

> <UNII>
Y52BK1W96C

$$$$