Mrv1572004191601322D          

 23 12  0  0  0  0            999 V2000
    1.0572    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986   -0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -1.0779    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.0779    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.8822   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9236   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7415   -0.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415    0.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829   -0.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7829    0.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7072    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.7486   -0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.0643    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4215    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -2.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -2.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -4.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -4.3779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 11  4  1  0  0  0  0
M  CHG  4   5  -1   6  -1  12   1  13   1
M  END
> <DATABASE_ID>
DBSALT002514

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/B4O7.2Na.10H2O/c5-1-7-3-9-2(6)10-4(8-1)11-3;;;;;;;;;;;;/h;;;10*1H2/q-2;2*+1;;;;;;;;;;

> <INCHI_KEY>
CDMADVZSLOHIFP-UHFFFAOYSA-N

> <FORMULA>
B4H20Na2O17

> <MOLECULAR_WEIGHT>
381.36

> <EXACT_MASS>
382.086808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
11.525766606822966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <JCHEM_LOGP>
1.4100000000000006

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.6104590503554

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.490375829177425

> <JCHEM_PKA_STRONGEST_BASIC>
4.813685203632945

> <JCHEM_POLAR_SURFACE_AREA>
104.0

> <JCHEM_REFRACTIVITY>
44.9309

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

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

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002514

> <NAME>
Sodium borate decahydrate

> <DRUG_DRUGBANK_ID>
DB14505

> <DRUG_NAME>
Sodium borate

> <CAS_NUMBER>
1303-96-4

> <UNII>
91MBZ8H3QO

$$$$