Molecule

ID:83785

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₂
Molecular Mass
258.69964
Exact Mass
258.04475727
Charge
0
InChI
InChI=1S/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H
InChIKey
GVKYSLWFMZCXBQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)/C=C/c1ccccc1)O
Isomeric Smiles
O=C(c1cc(ccc1O)Cl)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
7.6578355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.837818
LogD (pH = 7.4)
4.6516128
Log P
4.8408046
Molar Refractivity
73.6627
Polarizability
27.791641
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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