Molecule

ID:21152

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClNO₂
Molecular Mass
249.77746
Exact Mass
249.14955669
Charge
0
InChI
InChI=1S/C12H23NO2.ClH/c1-2-12(15-8-1)10-14-9-5-11-3-6-13-7-4-11;/h11-13H,1-10H2;1H
InChIKey
GVAMOOAXFLBMFO-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCOCC1CCCO1.Cl
Isomeric Smiles
N1CCC(CCOCC2CCCO2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2174735
LogD (pH = 7.4)
-1.7610836
Log P
1.0141124
Molar Refractivity
60.9196
Polarizability
24.283567
Polar Surface Area
30.49
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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