Molecule

ID:15728

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNO₂
Molecular Mass
233.735
Exact Mass
233.11825657
Charge
0
InChI
InChI=1S/C11H19NO2.ClH/c13-11(14)9-4-3-7-12(8-9)10-5-1-2-6-10;/h9-10H,1-8H2,(H,13,14);1H
InChIKey
LKYCEKPSYDBGAO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C1CCCC1.Cl
Isomeric Smiles
C1(N2CC(CCC2)C(=O)O)CCCC1.Cl
Calculated Properties
JChem
Acid pKa
3.861173
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9649588
LogD (pH = 7.4)
-0.95711344
Log P
-0.9571336
Molar Refractivity
54.6292
Polarizability
21.574009
Polar Surface Area
40.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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