Molecule

ID:47271

General Information
Structure
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)17-6-8-18(9-7-17)22-14-16-10-12-21-13-11-16;/h6-9,16,21H,10-15H2,1-5H3;1H
InChIKey
GLZZEMBABGROMT-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OCC1CCNCC1)(CC(C)(C)C)C.Cl
Isomeric Smiles
C(c1ccc(OCC2CCNCC2)cc1)(CC(C)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7097725
LogD (pH = 7.4)
2.1705432
Log P
4.941193
Molar Refractivity
94.3872
Polarizability
37.55855
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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