Molecule

ID:67791

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c1-7-3-2-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H
InChIKey
JFWLEGORBDKYIG-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(C1)C(=O)O.Cl
Isomeric Smiles
N1(CC(CC1)C(=O)O)C.Cl
Calculated Properties
JChem
Acid pKa
3.6721067
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7607021
LogD (pH = 7.4)
-2.7568655
Log P
-2.7561076
Molar Refractivity
33.615
Polarizability
13.120767
Polar Surface Area
40.54
Rotatable Bonds
1
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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