Molecule

ID:72257

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₂
Molecular Mass
167.63386
Exact Mass
167.07130637
Charge
0
InChI
InChI=1S/C6H13NO2.ClH/c1-3-4-5(7-2)6(8)9;/h5,7H,3-4H2,1-2H3,(H,8,9);1H
InChIKey
IGDWHEIQMSBEEU-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)O)NC.Cl
Isomeric Smiles
C(=O)(C(NC)CCC)O.Cl
Calculated Properties
JChem
Acid pKa
2.3515837
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6505893
LogD (pH = 7.4)
-1.6506037
Log P
-1.6504215
Molar Refractivity
34.3969
Polarizability
13.835553
Polar Surface Area
49.33
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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