Molecule

ID:55829

General Information
Structure
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-8(7(10)11-2)3-5-9-6-4-8;/h9H,3-6H2,1-2H3;1H
InChIKey
JWOIOCYCJNBEQY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1(C)CCNCC1.Cl
Isomeric Smiles
C1CNCCC1(C)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6075711
LogD (pH = 7.4)
-1.61419
Log P
0.5821405
Molar Refractivity
42.3454
Polarizability
17.03371
Polar Surface Area
38.33
Rotatable Bonds
2
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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