Molecule

ID:73471

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO₂
Molecular Mass
234.67824
Exact Mass
234.04475727
Charge
0
InChI
InChI=1S/C13H11ClO2/c1-8(15)12-7-13(16-9(12)2)10-3-5-11(14)6-4-10/h3-7H,1-2H3
InChIKey
AOCVLRAZYZGWMS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1oc(c(c1)C(=O)C)C
Isomeric Smiles
o1c(cc(c1C)C(=O)C)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
15.34466
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0419714
LogD (pH = 7.4)
3.0419714
Log P
3.0419714
Molar Refractivity
63.9424
Polarizability
25.509354
Polar Surface Area
30.21
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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