Mrv1909 11262022382D          

  3  2  0  0  0  0            999 V2000
   -0.0824    0.0042    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.0042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DB15962

> <DATABASE_NAME>
drugbank

> <SMILES>
F[Ca]F

> <INCHI_IDENTIFIER>
InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2

> <INCHI_KEY>
WUKWITHWXAAZEY-UHFFFAOYSA-L

> <FORMULA>
CaF2

> <MOLECULAR_WEIGHT>
78.075

> <EXACT_MASS>
77.9593972

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
2.674981840368755

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
difluorocalcium

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
0.18500000000000005

> <ALOGPS_LOGS>
-0.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
3.0026

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.65e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stearyl alcohol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB15962

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Calcium fluoride

> <SYNONYMS>
Fluorspar

> <PRODUCTS>
Swical Extra-fort

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