Molecule

ID:94480

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClFO₂
Molecular Mass
250.6528232
Exact Mass
250.0196854
Charge
0
InChI
InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H
InChIKey
AYBQWBCUAWOLCT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1cc(F)ccc1O
Isomeric Smiles
O=C(c1ccc(cc1)Cl)c1cc(ccc1O)F
Calculated Properties
JChem
Acid pKa
7.890621
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5240297
LogD (pH = 7.4)
4.4051814
Log P
4.52578
Molar Refractivity
63.6356
Polarizability
24.147253
Polar Surface Area
37.3
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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