Mrv1718007131814412D          

 11 12  0  0  0  0            999 V2000
   -0.4005    1.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822   -0.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219    0.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1864   -1.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115   -1.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032   -1.2165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5032   -0.7258    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1401    0.4855    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0501   -0.2253    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8624   -0.8461    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -0.5356    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  CHG  2   6  -1   7  -1
M  END
> <DATABASE_ID>
DB14553

> <DATABASE_NAME>
drugbank

> <SMILES>
[O-]B1OB2OB([O-])OB(O1)O2

> <INCHI_IDENTIFIER>
InChI=1S/B4O7/c5-1-7-3-9-2(6)10-4(8-1)11-3/q-2

> <INCHI_KEY>
GDTSJMKGXGJFGQ-UHFFFAOYSA-N

> <FORMULA>
B4O7

> <MOLECULAR_WEIGHT>
155.23

> <EXACT_MASS>
156.002719

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
11.888877167979773

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bicyclo[3.3.1]tetraboroxane-3,7-bis(olate)

> <JCHEM_LOGP>
4.6836

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.955104071008323

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.34834979906753

> <JCHEM_PKA_STRONGEST_BASIC>
-5.004256346183552

> <JCHEM_POLAR_SURFACE_AREA>
92.27000000000001

> <JCHEM_REFRACTIVITY>
9.636800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bicyclo[3.3.1]tetraboroxane-3,7-bis(olate)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14553

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Borate ion

> <SYNONYMS>
Pyroborate; Tetraborate; Tetraborate ion

$$$$