Molecule

ID:55689

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-2-11-7(10)8(9)5-3-4-6-8;/h2-6,9H2,1H3;1H
InChIKey
ADFASIQRQWKXSJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(N)CCCC1.Cl
Isomeric Smiles
C1CCC(C1)(N)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.217551
LogD (pH = 7.4)
0.45285395
Log P
0.9380755
Molar Refractivity
41.9741
Polarizability
17.03371
Polar Surface Area
52.32
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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