Molecule

ID:94475

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClFO
Molecular Mass
234.6534232
Exact Mass
234.02477078
Charge
0
InChI
InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H
InChIKey
DODIKYQYCCFWRZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1ccccc1Cl
Isomeric Smiles
O=C(c1c(cccc1)Cl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1793456
LogD (pH = 7.4)
4.1793456
Log P
4.1793456
Molar Refractivity
61.6547
Polarizability
23.517756
Polar Surface Area
17.07
Rotatable Bonds
2
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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