Molecule

ID:85533

General Information
Structure
Molecular Formula
C₁₇H₁₁ClO₂
Molecular Mass
282.72104
Exact Mass
282.04475727
Charge
0
InChI
InChI=1S/C17H11ClO2/c18-14-7-5-12(6-8-14)16(19)10-9-15-11-13-3-1-2-4-17(13)20-15/h1-11H
InChIKey
JINCNZTUIKSEBN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1cc2c(o1)cccc2
Isomeric Smiles
o1c(cc2c1cccc2)/C=C/C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.836915
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5734944
LogD (pH = 7.4)
4.5734944
Log P
4.5734944
Molar Refractivity
80.4004
Polarizability
31.587263
Polar Surface Area
30.21
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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