Molecule

ID:50068

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O₂
Molecular Mass
262.77622
Exact Mass
262.14480567
Charge
0
InChI
InChI=1S/C12H22N2O2.ClH/c15-12(11-1-5-13-6-2-11)14-9-10-3-7-16-8-4-10;/h10-11,13H,1-9H2,(H,14,15);1H
InChIKey
OZSWERZUAZMXBF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCNCC1)NCC1CCOCC1.Cl
Isomeric Smiles
C(=O)(NCC1CCOCC1)C1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
16.004126
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.5072212
LogD (pH = 7.4)
-2.9227915
Log P
-0.28124753
Molar Refractivity
63.0877
Polarizability
24.80672
Polar Surface Area
50.36
Rotatable Bonds
3
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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