Molecule

ID:21118

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClNO₂
Molecular Mass
249.77746
Exact Mass
249.14955669
Charge
0
InChI
InChI=1S/C12H23NO2.ClH/c1-2-7-13-11(4-1)6-9-14-10-12-5-3-8-15-12;/h11-13H,1-10H2;1H
InChIKey
HQTRPRYUJFJZAR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOCC1CCCO1.Cl
Isomeric Smiles
N1C(CCOCC2OCCC2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.082737
LogD (pH = 7.4)
-1.6257939
Log P
1.148828
Molar Refractivity
60.6692
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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