Molecule

ID:51126

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆ClNO₃
Molecular Mass
353.79894
Exact Mass
353.08187106
Charge
0
InChI
InChI=1S/C20H16ClNO3/c21-16-11-17(22)19(24-13-14-7-3-1-4-8-14)18(12-16)25-20(23)15-9-5-2-6-10-15/h1-12H,13,22H2
InChIKey
LCBIVEAKBAMSHT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(OC(=O)c2ccccc2)c(c(c1)N)OCc1ccccc1
Isomeric Smiles
c1(c(c(cc(c1)Cl)N)OCc1ccccc1)OC(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.9753776
LogD (pH = 7.4)
4.9765863
Log P
4.9766016
Molar Refractivity
98.4419
Polarizability
37.59014
Polar Surface Area
61.55
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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