Molecule

ID:123410

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO
Molecular Mass
231.6776
Exact Mass
231.04509163
Charge
0
InChI
InChI=1S/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
XNBKKRFABABBPM-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)N(c1ccccc1)c1ccccc1
Isomeric Smiles
C(=O)(N(c1ccccc1)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7397075
LogD (pH = 7.4)
3.7397075
Log P
3.7397075
Molar Refractivity
64.5275
Polarizability
24.799582
Polar Surface Area
20.31
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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