Molecule

ID:72428

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈ClNO
Molecular Mass
287.78392
Exact Mass
287.10769188
Charge
0
InChI
InChI=1S/C17H18ClNO/c1-3-13-11-7-8-12(2)16(13)19-17(20)15(18)14-9-5-4-6-10-14/h4-11,15H,3H2,1-2H3,(H,19,20)
InChIKey
OOUORCJIBQFGRL-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1NC(=O)C(c1ccccc1)Cl)C
Isomeric Smiles
N(C(=O)C(c1ccccc1)Cl)c1c(cccc1CC)C
Calculated Properties
JChem
Acid pKa
13.349522
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.156141
LogD (pH = 7.4)
5.1561403
Log P
5.156141
Molar Refractivity
84.7155
Polarizability
31.989256
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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