Molecule

ID:56474

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₃
Molecular Mass
355.81482
Exact Mass
355.09752112
Charge
0
InChI
InChI=1S/C20H18ClNO3/c1-11-7-12(2)19-14(8-11)15(20(21)23)10-16(22-19)13-5-6-17(24-3)18(9-13)25-4/h5-10H,1-4H3
InChIKey
RECFBOHWRXBPRR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c2c(c(cc1c1cc(c(cc1)OC)OC)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.066352
LogD (pH = 7.4)
5.0663886
Log P
5.066389
Molar Refractivity
98.867
Polarizability
40.216793
Polar Surface Area
48.42
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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