Molecule

ID:9570

General Information
Structure
Molecular Formula
C₁₄H₁₀ClFO₂
Molecular Mass
264.6794032
Exact Mass
264.03533546
Charge
0
InChI
InChI=1S/C14H10ClFO2/c15-13-2-1-3-14(16)12(13)9-18-11-6-4-10(8-17)5-7-11/h1-8H,9H2
InChIKey
WOUZCDNRKXWPDY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1c(F)cccc1Cl
Isomeric Smiles
c1(COc2ccc(C=O)cc2)c(F)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9992967
LogD (pH = 7.4)
3.9992967
Log P
3.9992967
Molar Refractivity
68.739
Polarizability
25.89258
Polar Surface Area
26.3
Rotatable Bonds
4
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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