Mrv1572004191602402D          

  5  3  0  0  0  0            999 V2000
    1.6500    1.4289    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
M  CHG  4   1   3   3  -1   4  -1   5  -1
M  END
> <DATABASE_ID>
CHEM009376

> <DATABASE_NAME>
chemdb

> <SMILES>
[Al+3].[O-]B([O-])[O-]

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

> <INCHI_KEY>
OJMOMXZKOWKUTA-UHFFFAOYSA-N

> <FORMULA>
AlBO3

> <MOLECULAR_WEIGHT>
85.79

> <EXACT_MASS>
85.975587

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.113787415588316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium(3+) 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>
aluminium(3+) ion borate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Boric acid, aluminum salt

> <CAS>
11121-16-7

$$$$