Molecule

ID:45560

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-7(10)11-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H
InChIKey
WDWKKUOFGNRRBR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CCNCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2045135
LogD (pH = 7.4)
-2.743742
Log P
0.02690728
Molar Refractivity
42.3872
Polarizability
17.03371
Polar Surface Area
38.33
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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