Molecule

ID:9893

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂F₃P
Molecular Mass
316.2568506
Exact Mass
316.06287167
Charge
0
InChI
InChI=1S/C18H12F3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
GEPJPYNDFSOARB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F
Isomeric Smiles
c1(P(c2ccc(cc2)F)c2ccc(cc2)F)ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5251
LogD (pH = 7.4)
5.5251
Log P
5.5251
Molar Refractivity
82.2721
Polarizability
31.211266
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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