Molecule

ID:56385

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO
Molecular Mass
323.81602
Exact Mass
323.10769188
Charge
0
InChI
InChI=1S/C20H18ClNO/c1-3-4-14-6-8-15(9-7-14)19-12-17(20(21)23)16-11-13(2)5-10-18(16)22-19/h5-12H,3-4H2,1-2H3
InChIKey
RNQOZQOCGZXKBC-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(c2c(nc(c1)c1ccc(cc1)CCC)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.270828
LogD (pH = 7.4)
6.2708683
Log P
6.270869
Molar Refractivity
95.1426
Polarizability
38.940567
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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