Mrv0541 02241205192D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    3.3589    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9464    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  4   1   2   2  -1   4  -1   5  -1
M  END
> <DATABASE_ID>
T3D1474

> <DATABASE_NAME>
t3db

> <SMILES>
[Zn++].[O-]B([O-])[O-]

> <INCHI_IDENTIFIER>
InChI=1S/BO3.Zn/c2-1(3)4;/q-3;+2

> <INCHI_KEY>
HPMASTSTJMNRGN-UHFFFAOYSA-N

> <FORMULA>
BO3Zn

> <MOLECULAR_WEIGHT>
124.218

> <EXACT_MASS>
122.92319591

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
4.113433005999788

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
zinc(2+) ion borate

> <JCHEM_LOGP>
-0.5085999999999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.112949480128211

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.698677768419094

> <JCHEM_PKA_STRONGEST_BASIC>
-5.346305507279106

> <JCHEM_POLAR_SURFACE_AREA>
69.17999999999999

> <JCHEM_REFRACTIVITY>
4.3287

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
zinc(2+) ion borate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1474

> <NAME>
Zinc borate

> <CAS>
1332-07-6

> <SYNONYMS>
Alcanex FR 100; Alcanex FRC 600; Bonrex FC; Boric acid, zinc salt; Climax ZB 467; Firebrake ZB; Firebrake ZB 500; Flamtard Z 10; ZB 467 Lite; Zinc boric acid; ZT; ZT (fire retardant)

> <TYPES>
Inorganic Compound; Zinc Compound; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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