Molecule

ID:57130

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO
Molecular Mass
323.81602
Exact Mass
323.10769188
Charge
0
InChI
InChI=1S/C20H18ClNO/c1-4-14-6-8-15(9-7-14)18-11-17(20(21)23)16-10-5-12(2)13(3)19(16)22-18/h5-11H,4H2,1-3H3
InChIKey
PDDXJEWRLSKTOF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1ccc(cc1)CC)C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3396473
LogD (pH = 7.4)
6.3397207
Log P
6.3397217
Molar Refractivity
95.5828
Polarizability
38.85889
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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