Mrv0541 02241219002D          

  5  3  0  0  0  0            999 V2000
   -1.4956    0.7361    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.9122    0.0895    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9122   -0.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.6728    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3288    0.6728    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
CHEM026974

> <DATABASE_NAME>
chemdb

> <SMILES>
[Ca++].[O-]S([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/Ca.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2

> <INCHI_KEY>
GBAOBIBJACZTNA-UHFFFAOYSA-L

> <FORMULA>
CaO3S

> <MOLECULAR_WEIGHT>
120.141

> <EXACT_MASS>
119.919405711

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.102097139220424

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium sulfite

> <JCHEM_LOGP>
-1.1546872626666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.916909462941165

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.6693460536121636

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
10.0845

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
calcium sulfite

> <JCHEM_VEBER_RULE>
0

> <NAME>
Calcium sulfite

> <CAS>
10257-55-3

$$$$