Molecule

ID:56348

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClNO
Molecular Mass
281.73628
Exact Mass
281.06074169
Charge
0
InChI
InChI=1S/C17H12ClNO/c1-11-15(17(18)20)13-9-5-6-10-14(13)19-16(11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
KFXNVYYLWUVEAO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)Cl)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8682404
LogD (pH = 7.4)
4.868309
Log P
4.86831
Molar Refractivity
80.8994
Polarizability
33.48378
Polar Surface Area
29.96
Rotatable Bonds
2
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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