Molecule

ID:97091

General Information
Structure
Molecular Formula
C₁₅H₁₀ClFO
Molecular Mass
260.6907032
Exact Mass
260.04042084
Charge
0
InChI
InChI=1S/C15H10ClFO/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H
InChIKey
WXGUVJMPLPVNHX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)Cl
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
16.90461
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.637072
LogD (pH = 7.4)
4.637072
Log P
4.637072
Molar Refractivity
71.8982
Polarizability
26.842827
Polar Surface Area
17.07
Rotatable Bonds
3
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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