Mrv1572004191601592D          

 28 12  0  0  0  0            999 V2000
    0.0000   -0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7143   -0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1268   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8893   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.5079    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4125   -5.2224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -4.5079    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7143   -4.5079    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268   -3.7934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1268   -5.2224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8893   -4.5079    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.5393    1.4289    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.5393   -1.4289    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.0643   -0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.0789    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8250   -5.9368    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -1.6500   -4.5079    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.5393   -3.0789    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.5393   -5.9368    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.0643   -4.5079    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
M  CHG  8   2  -1   3  -1   4  -1   6  -1   7  -1   8  -1  10  -1  11  -1
M  CHG  8  12  -1  14  -1  15  -1  16  -1  17   1  18   1  19   1  20   1
M  CHG  8  21   1  22   1  23   1  24   1  25   1  26   1  27   1  28   1
M  END
> <DATABASE_ID>
CHEM007258

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/4BO3.12K/c4*2-1(3)4;;;;;;;;;;;;/q4*-3;12*+1

> <INCHI_KEY>
KRHIGIYZRJWEGL-UHFFFAOYSA-N

> <FORMULA>
B4K12O12

> <MOLECULAR_WEIGHT>
704.41

> <EXACT_MASS>
703.540673

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
4.113787415588316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dodecapotassium tetraborate

> <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>
0

> <JCHEM_TRADITIONAL_IUPAC>
dodecapotassium tetraborate

> <JCHEM_VEBER_RULE>
0

> <NAME>
POTASSIUM BORATE

> <CAS>
1332-77-0

> <SYNONYMS>
Boron potassium oxide (B4K2O7); Potassium tetraborate

$$$$