Molecule

ID:45798

General Information
Structure
Molecular Formula
C₁₂H₂₄ClNO₂
Molecular Mass
249.77746
Exact Mass
249.14955669
Charge
0
InChI
InChI=1S/C12H23NO2.ClH/c1-10(2)9-12(14)15-8-5-11-3-6-13-7-4-11;/h10-11,13H,3-9H2,1-2H3;1H
InChIKey
AZDOWRCAQRWSCM-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)OCCC1CCNCC1)C.Cl
Isomeric Smiles
C(=O)(CC(C)C)OCCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4059399
LogD (pH = 7.4)
-0.94955
Log P
1.8256458
Molar Refractivity
60.8417
Polarizability
24.392563
Polar Surface Area
38.33
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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