Molecule

ID:56985

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClF₃O₂
Molecular Mass
314.6869096
Exact Mass
314.0321419
Charge
0
InChI
InChI=1S/C15H10ClF3O2/c16-14(20)11-4-2-6-13(8-11)21-9-10-3-1-5-12(7-10)15(17,18)19/h1-8H,9H2
InChIKey
BJYYNUJDVWTSKM-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc(c1)OCc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1)C(=O)Cl)OCc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6088085
LogD (pH = 7.4)
4.6088085
Log P
4.6088085
Molar Refractivity
74.2222
Polarizability
27.328989
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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