Molecule

ID:101159

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇ClO
Molecular Mass
214.64708
Exact Mass
214.01854252
Charge
0
InChI
InChI=1S/C13H7ClO/c14-13(15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H
InChIKey
NLSBARINANPMGB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1c1ccccc21
Isomeric Smiles
c12c(c3c1cccc3)cccc2C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4853632
LogD (pH = 7.4)
3.4853632
Log P
3.4853632
Molar Refractivity
61.3871
Polarizability
25.729952
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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