Molecule

ID:97249

General Information
Structure
Molecular Formula
C₁₃H₁₀ClFO
Molecular Mass
236.6693032
Exact Mass
236.04042084
Charge
0
InChI
InChI=1S/C13H10ClFO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H
InChIKey
YOKJZIUNZKHALC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1cccc(c1)F)O
Isomeric Smiles
OC(c1cccc(c1)F)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
13.588797
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.736883
LogD (pH = 7.4)
3.7368827
Log P
3.736883
Molar Refractivity
62.1779
Polarizability
23.896597
Polar Surface Area
20.23
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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