Molecule

ID:56421

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO
Molecular Mass
323.81602
Exact Mass
323.10769188
Charge
0
InChI
InChI=1S/C20H18ClNO/c1-3-5-14-8-10-15(11-9-14)18-12-17(20(21)23)16-7-4-6-13(2)19(16)22-18/h4,6-12H,3,5H2,1-2H3
InChIKey
MQQVRILAIYGVLR-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)CCC)C(=O)Cl)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.2708383
LogD (pH = 7.4)
6.2708683
Log P
6.270869
Molar Refractivity
95.1426
Polarizability
38.941906
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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