Molecule

ID:57129

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO
Molecular Mass
323.81602
Exact Mass
323.10769188
Charge
0
InChI
InChI=1S/C20H18ClNO/c1-11-5-6-13(3)16(9-11)18-10-17(20(21)23)15-8-7-12(2)14(4)19(15)22-18/h5-10H,1-4H3
InChIKey
UOAUVRJICSUZBU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C)C
Isomeric Smiles
c1c(c(c2c(c1)c(cc(n2)c1c(ccc(c1)C)C)C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4085364
LogD (pH = 7.4)
6.4085736
Log P
6.408574
Molar Refractivity
96.023
Polarizability
38.77878
Polar Surface Area
29.96
Rotatable Bonds
2
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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