Molecule

ID:56331

General Information
Structure
Molecular Formula
C₂₀H₁₈ClNO
Molecular Mass
323.81602
Exact Mass
323.10769188
Charge
0
InChI
InChI=1S/C20H18ClNO/c1-20(2,3)14-10-8-13(9-11-14)18-12-16(19(21)23)15-6-4-5-7-17(15)22-18/h4-12H,1-3H3
InChIKey
BOPIFAQPNKCIPO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(C(C)(C)C)cc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.899914
LogD (pH = 7.4)
5.899945
Log P
5.899945
Molar Refractivity
94.5241
Polarizability
39.02267
Polar Surface Area
29.96
Rotatable Bonds
3
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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