Molecule

ID:47159

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClNO₂
Molecular Mass
237.76676
Exact Mass
237.14955669
Charge
0
InChI
InChI=1S/C11H23NO2.ClH/c1-2-6-13-7-8-14-10-11-4-3-5-12-9-11;/h11-12H,2-10H2,1H3;1H
InChIKey
DHKZWKJIYNYAMT-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COCCOCCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1264122
LogD (pH = 7.4)
-1.6114714
Log P
1.1028199
Molar Refractivity
58.2042
Polarizability
23.170424
Polar Surface Area
30.49
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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