Molecule

ID:83598

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₂ClNO
Molecular Mass
329.77908
Exact Mass
329.06074169
Charge
0
InChI
InChI=1S/C21H12ClNO/c22-19-16-11-6-10-15-14-9-4-5-12-17(14)23(20(15)16)21(24)18(19)13-7-2-1-3-8-13/h1-12H
InChIKey
MOVMNPWDSWQFOX-UHFFFAOYSA-N
Canonic Smiles
Clc1c(c2ccccc2)c(=O)n2c3c1cccc3c1c2cccc1
Isomeric Smiles
n12c(=O)c(c(c3c1c(ccc3)c1c2cccc1)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.619032
LogD (pH = 7.4)
4.619032
Log P
4.619032
Molar Refractivity
96.269
Polarizability
39.318546
Polar Surface Area
22.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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