Molecule

ID:45754

General Information
Structure
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-2-8(10)11-7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H
InChIKey
PDXPPXHVJPFNBO-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OC1CNCCC1)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4027956
LogD (pH = 7.4)
-1.124146
Log P
0.7242453
Molar Refractivity
41.9753
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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