Mrv0541 09171416092D          

 14  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 B   0  1  0  0  0  0  0  0  0  0  0  0
    1.0017    0.0000    0.0000 B   0  1  0  0  0  0  0  0  0  0  0  0
    2.0035    0.0000    0.0000 B   0  1  0  0  0  0  0  0  0  0  0  0
    3.0053    0.0000    0.0000 B   0  1  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0017   -1.6500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.2410   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4803   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.0017   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0035   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    3.0053   -3.3000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    1.0017   -4.9500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1   3   2   3   3   3   4   3   5   1   6   1   8  -2   9  -2
M  CHG  5  10  -2  11  -2  12  -2  13  -2  14  -2
M  END
> <DATABASE_ID>
CHEM003904

> <DATABASE_NAME>
chemdb

> <SMILES>
[B+3].[B+3].[B+3].[B+3].O.[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Na+].[Na+]

> <INCHI_IDENTIFIER>
InChI=1S/4B.2Na.H2O.7O/h;;;;;;1H2;;;;;;;/q4*+3;2*+1;;7*-2

> <INCHI_KEY>
IYVLDXPWJCXWQU-UHFFFAOYSA-N

> <FORMULA>
B4H2Na2O8

> <MOLECULAR_WEIGHT>
219.235

> <EXACT_MASS>
219.991728254

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetraboron(3+) ion disodium hydrate heptaoxidandiide

> <JCHEM_LOGP>
0.3308

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetraboron(3+) ion disodium hydrate heptaoxidandiide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4948

> <NAME>
Tetraboron disodium heptaoxide, hydrate

> <CAS>
12267-73-1

> <TYPES>
Inorganic Compound; Metalloid; Industrial/Workplace Toxin; Synthetic Compound

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