Mrv0541 02241214382D          

  5  3  0  0  0  0            999 V2000
   -1.2828   -1.1224    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    0.5610   -0.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610    0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    1.1224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1600    1.1224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
> <DATABASE_ID>
FDB013290

> <DATABASE_NAME>
foodb

> <SMILES>
[Mg++].[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2

> <INCHI_KEY>
ZLNQQNXFFQJAID-UHFFFAOYSA-L

> <FORMULA>
CMgO3

> <MOLECULAR_WEIGHT>
84.314

> <EXACT_MASS>
83.969785764

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.515450277384693

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion carbonate

> <ALOGPS_LOGP>
0.52

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.26e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion carbonate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013290

> <GENERIC_NAME>
Magnesium carbonate

$$$$