Molecule

ID:8530

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClO
Molecular Mass
204.65226
Exact Mass
204.03419259
Charge
0
InChI
InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
PGPNJCAMHOJTEF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0775776
LogD (pH = 7.4)
4.0775776
Log P
4.0775776
Molar Refractivity
57.1036
Polarizability
22.513727
Polar Surface Area
9.23
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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