Molecule

ID:55849

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-2-4-8(7(10)11)5-3-6-9-8;/h9H,2-6H2,1H3,(H,10,11);1H
InChIKey
VDWRJHSEZZBLTR-UHFFFAOYSA-N
Canonic Smiles
CCCC1(CCCN1)C(=O)O.Cl
Isomeric Smiles
N1C(CCC1)(CCC)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
2.19603
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1689395
LogD (pH = 7.4)
-1.1687895
Log P
-1.1687765
Molar Refractivity
41.9026
Polarizability
16.785397
Polar Surface Area
49.33
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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