Mrv0541 02241205412D          

  5  6  0  0  0  0            999 V2000
    0.5981   -0.1233    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    0.9426   -0.7984    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996   -1.3706    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    0.8895   -1.5196    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262   -1.3650    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D2409

> <DATABASE_NAME>
t3db

> <SMILES>
[Ca]1P2[Ca]P1[Ca]2

> <INCHI_IDENTIFIER>
InChI=1S/3Ca.2P

> <INCHI_KEY>
HMTIWQQJRUFNAF-UHFFFAOYSA-N

> <FORMULA>
Ca3P2

> <MOLECULAR_WEIGHT>
182.182

> <EXACT_MASS>
181.835296489

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.047182835316839

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bicyclo[1.1.1]tricalcaphosphane

> <JCHEM_LOGP>
-0.8383999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.774932338477207

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
13.672

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
bicyclo[1.1.1]tricalcaphosphane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D2409

> <NAME>
Calcium phosphide

> <CAS>
1305-99-3

> <SYNONYMS>
Calcium photophor; Photophor; Tricalcium diphosphide

> <TYPES>
Inorganic Compound; Pesticide; Phosphide; Synthetic Compound

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