Molecule

ID:47324

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄ClNO₃
Molecular Mass
361.86246
Exact Mass
361.14447131
Charge
0
InChI
InChI=1S/C20H23NO3.ClH/c22-20(24-15-16-4-2-1-3-5-16)18-6-8-19(9-7-18)23-14-17-10-12-21-13-11-17;/h1-9,17,21H,10-15H2;1H
InChIKey
HGCGKSVTXPWTES-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCNCC1)OCc1ccccc1.Cl
Isomeric Smiles
C(=O)(c1ccc(OCC2CCNCC2)cc1)OCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4164627
LogD (pH = 7.4)
0.8772335
Log P
3.6478837
Molar Refractivity
94.1335
Polarizability
36.864174
Polar Surface Area
47.56
Rotatable Bonds
7
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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