Molecule

ID:78388

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO
Molecular Mass
216.66296
Exact Mass
216.03419259
Charge
0
InChI
InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey
UGVRJVHOJNYEHR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0366435
LogD (pH = 7.4)
4.0366435
Log P
4.0366435
Molar Refractivity
61.4383
Polarizability
23.844728
Polar Surface Area
17.07
Rotatable Bonds
2
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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