Molecule

ID:56326

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO
Molecular Mass
323.81602
Exact Mass
323.10769188
Charge
0
InChI
InChI=1S/C20H18ClNO/c1-13(2)11-14-7-9-15(10-8-14)19-12-17(20(21)23)16-5-3-4-6-18(16)22-19/h3-10,12-13H,11H2,1-2H3
InChIKey
SDJCIWGCBRRFHY-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)CC(C)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.044435
LogD (pH = 7.4)
6.044466
Log P
6.0444665
Molar Refractivity
94.65
Polarizability
39.02389
Polar Surface Area
29.96
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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