Molecule

ID:55853

General Information
Structure
Molecular Formula
C₈H₁₆ClNO₂
Molecular Mass
193.67114
Exact Mass
193.08695644
Charge
0
InChI
InChI=1S/C8H15NO2.ClH/c1-2-8(7(10)11)3-5-9-6-4-8;/h9H,2-6H2,1H3,(H,10,11);1H
InChIKey
MEFRCHLVUQTJPQ-UHFFFAOYSA-N
Canonic Smiles
CCC1(CCNCC1)C(=O)O.Cl
Isomeric Smiles
C1CNCCC1(CC)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.43871
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6203324
LogD (pH = 7.4)
-1.5912971
Log P
-1.5916556
Molar Refractivity
42.1773
Polarizability
16.785397
Polar Surface Area
49.33
Rotatable Bonds
2
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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