Mrv1572004251606162D          

 21 15  0  0  0  0            999 V2000
    0.3300    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7425   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7425    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8068   -0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2193   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9818   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2836   -0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    7.6961    0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.6961   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4586   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 O   0  5  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
   -0.8250   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4768   -3.0789    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893   -2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.8893   -3.7934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6518   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.3200    0.0000    0.0000 Na  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
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  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  18  -1  19  -1  20  -1  21   1
M  END
> <DATABASE_ID>
CHEM009543

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/5BO3.Na/c5*2-1(3)4;/q5*-3;+1

> <INCHI_KEY>
PJEIEBXVQQSCGZ-UHFFFAOYSA-N

> <FORMULA>
B5NaO15

> <MOLECULAR_WEIGHT>
317.03

> <EXACT_MASS>
317.967694

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
4.113787415588316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-14

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium pentaborate

> <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>
sodium pentaborate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Boron sodium oxide (B5NaO8)

> <CAS>
12007-92-0

$$$$