Molecule

ID:47323

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄ClNO₃
Molecular Mass
361.86246
Exact Mass
361.14447131
Charge
0
InChI
InChI=1S/C20H23NO3.ClH/c22-20(24-14-16-5-2-1-3-6-16)18-8-10-19(11-9-18)23-15-17-7-4-12-21-13-17;/h1-3,5-6,8-11,17,21H,4,7,12-15H2;1H
InChIKey
PKCYHOZQCPZEHA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCCNC1)OCc1ccccc1.Cl
Isomeric Smiles
C(=O)(c1ccc(OCC2CNCCC2)cc1)OCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.46755308
LogD (pH = 7.4)
1.1251403
Log P
3.6894403
Molar Refractivity
94.0347
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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