Molecule

ID:15380

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₈ClNO
Molecular Mass
261.83122
Exact Mass
261.1859422
Charge
0
InChI
InChI=1S/C14H27NO.ClH/c1-2-5-13(6-3-1)8-10-16-12-14-7-4-9-15-11-14;/h13-15H,1-12H2;1H
InChIKey
KFIYEFZQHAXBSO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCOCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCCC2CCCCC2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.47786888
LogD (pH = 7.4)
0.037071526
Log P
2.7513633
Molar Refractivity
68.3111
Polarizability
27.28901
Polar Surface Area
21.26
Rotatable Bonds
5
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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