Molecule

ID:47270

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄ClNO
Molecular Mass
339.94306
Exact Mass
339.23289239
Charge
0
InChI
InChI=1S/C20H33NO.ClH/c1-19(2,3)15-20(4,5)17-8-10-18(11-9-17)22-14-16-7-6-12-21-13-16;/h8-11,16,21H,6-7,12-15H2,1-5H3;1H
InChIKey
XWWNTPLOUJRAOG-UHFFFAOYSA-N
Canonic Smiles
CC(CC(c1ccc(cc1)OCC1CCCNC1)(C)C)(C)C.Cl
Isomeric Smiles
C(c1ccc(OCC2CNCCC2)cc1)(CC(C)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7608628
LogD (pH = 7.4)
2.41845
Log P
4.98275
Molar Refractivity
94.2884
Polarizability
37.558548
Polar Surface Area
21.26
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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