Molecule

ID:41235

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO
Molecular Mass
231.6776
Exact Mass
231.04509163
Charge
0
InChI
InChI=1S/C13H10ClNO/c14-7-11-3-6-13(15-8-11)12-4-1-10(9-16)2-5-12/h1-6,8-9H,7H2
InChIKey
QLOLJTNGAJZPFL-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(nc1)c1ccc(cc1)C=O
Isomeric Smiles
n1c(c2ccc(C=O)cc2)ccc(c1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0754085
LogD (pH = 7.4)
3.0882275
Log P
3.0883934
Molar Refractivity
65.1162
Polarizability
25.935108
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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