Molecule

ID:79901

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO
Molecular Mass
255.699
Exact Mass
255.04509163
Charge
0
InChI
InChI=1S/C15H10ClNO/c16-13-10-15(18)17(11-6-2-1-3-7-11)14-9-5-4-8-12(13)14/h1-10H
InChIKey
LQQXNEIPXXGEJN-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)n(c2c1cccc2)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)cc(c2ccccc12)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2732298
LogD (pH = 7.4)
3.27323
Log P
3.27323
Molar Refractivity
72.8889
Polarizability
27.549099
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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