Mrv1572004191602342D          

  6  3  0  0  0  0            999 V2000
    0.5775   -0.4287    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.4025   -0.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600    0.2858    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1650    0.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850    0.2858    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.7596    0.0000    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  CHG  2   3  -1   5   1
M  END
> <DATABASE_ID>
CHEM009076

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/BHO3.Na.H2O/c2-1-4-3;;/h3H;;1H2/q;+1;/p-1

> <INCHI_KEY>
MDGXUEVTGARGDK-UHFFFAOYSA-M

> <FORMULA>
BH2NaO4

> <MOLECULAR_WEIGHT>
99.81

> <EXACT_MASS>
99.994383

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
3.9489371506717426

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium hydrate [(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 hydrate (oxoboranyl)oxyolate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Sodium perborate monohydrate

> <CAS>
10332-33-9

$$$$