Molecule

ID:55386

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄Cl₂N₂O
Molecular Mass
271.22706
Exact Mass
270.12656876
Charge
0
InChI
InChI=1S/C11H22N2O.2ClH/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4;;/h9-10H,5-8H2,1-4H3;2*1H
InChIKey
HLEFOJSIGRNIFE-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCC(C1=O)CN(C)C)C.Cl.Cl
Isomeric Smiles
C1CC(C(=O)C1CN(C)C)CN(C)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
18.003593
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-5.1951146
LogD (pH = 7.4)
-1.8478663
Log P
0.9855489
Molar Refractivity
59.7984
Polarizability
23.39022
Polar Surface Area
23.55
Rotatable Bonds
4
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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