Molecule

ID:82082

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₂
Molecular Mass
258.69964
Exact Mass
258.04475727
Charge
0
InChI
InChI=1S/C15H11ClO2/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-10,17H
InChIKey
MOKOXBWJYLCGIB-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)/C=C/C(=O)c1ccccc1O
Isomeric Smiles
O=C(c1ccccc1O)/C=C/c1cccc(c1)Cl
Calculated Properties
JChem
Acid pKa
8.194447
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8399343
LogD (pH = 7.4)
4.7766476
Log P
4.8408046
Molar Refractivity
73.6627
Polarizability
27.79527
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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