Molecule

ID:86207

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClO
Molecular Mass
240.68436
Exact Mass
240.03419259
Charge
0
InChI
InChI=1S/C15H9ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-9H
InChIKey
SHYBXXMECBHHFH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccccc2c(c2c1cccc2)Cl
Isomeric Smiles
Clc1c2c(c(c3ccccc13)C=O)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2687464
LogD (pH = 7.4)
4.2687464
Log P
4.2687464
Molar Refractivity
70.3472
Polarizability
29.235607
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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