Molecule

ID:100713

General Information
Structure
Molecular Formula
C₁₄H₁₀ClFO₂
Molecular Mass
264.6794032
Exact Mass
264.03533546
Charge
0
InChI
InChI=1S/C14H10ClFO2/c1-18-13-7-4-10(8-12(13)16)14(17)9-2-5-11(15)6-3-9/h2-8H,1H3
InChIKey
NKZCFJJKOCNILS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)C(=O)c1ccc(cc1)Cl
Isomeric Smiles
O=C(c1ccc(c(c1)F)OC)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.021674
LogD (pH = 7.4)
4.021674
Log P
4.021674
Molar Refractivity
68.1179
Polarizability
26.04559
Polar Surface Area
26.3
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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