Molecule

ID:71834

General Information
Structure
Molecular Formula
C₆H₁₄ClNO₂
Molecular Mass
167.63386
Exact Mass
167.07130637
Charge
0
InChI
InChI=1S/C6H13NO2.ClH/c1-2-5(7)3-4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H
InChIKey
MORUJRYHFAWQOJ-UHFFFAOYSA-N
Canonic Smiles
CCC(CCC(=O)O)N.Cl
Isomeric Smiles
C(C(CCC(=O)O)N)C.Cl
Calculated Properties
JChem
Acid pKa
4.699982
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9975244
LogD (pH = 7.4)
-1.9462129
Log P
-1.9467086
Molar Refractivity
34.4006
Polarizability
13.835553
Polar Surface Area
63.32
Rotatable Bonds
4
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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