Molecule

ID:99102

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClFO₂
Molecular Mass
264.6794032
Exact Mass
264.03533546
Charge
0
InChI
InChI=1S/C14H10ClFO2/c15-10-3-1-9(2-4-10)7-14(18)12-8-11(16)5-6-13(12)17/h1-6,8,17H,7H2
InChIKey
DEQFRUBBOCSQOC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CC(=O)c1cc(F)ccc1O
Isomeric Smiles
O=C(c1cc(ccc1O)F)Cc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
9.835247
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4583945
LogD (pH = 7.4)
4.456835
Log P
4.4584146
Molar Refractivity
68.1848
Polarizability
25.817442
Polar Surface Area
37.3
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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