Molecule

ID:56316

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO
Molecular Mass
323.81602
Exact Mass
323.10769188
Charge
0
InChI
InChI=1S/C20H18ClNO/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20(21)23)16-7-4-5-8-18(16)22-19/h4-5,7-13H,2-3,6H2,1H3
InChIKey
AKTZIVVREYMEHK-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)CCCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.2019844
LogD (pH = 7.4)
6.202016
Log P
6.202016
Molar Refractivity
94.7024
Polarizability
39.024017
Polar Surface Area
29.96
Rotatable Bonds
5
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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