Molecule

ID:125629

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO₃
Molecular Mass
363.87834
Exact Mass
363.16012138
Charge
0
InChI
InChI=1S/C20H26ClNO3/c21-17-1-3-18(4-2-17)25-13-19(23)24-6-5-22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,22H,5-13H2
InChIKey
PLSMXIQMWYSHIV-UHFFFAOYSA-N
Canonic Smiles
O=C(COc1ccc(cc1)Cl)OCCNC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
Clc1ccc(OCC(=O)OCCNC23CC4CC(CC(C2)C4)C3)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.55734444
LogD (pH = 7.4)
1.3375182
Log P
3.7704997
Molar Refractivity
96.5209
Polarizability
38.757854
Polar Surface Area
47.56
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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