Molecule

ID:124576

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₂
Molecular Mass
167.63386
Exact Mass
167.07130637
Charge
0
InChI
InChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKey
RDTALXUBMCLWBB-UHFFFAOYSA-N
Canonic Smiles
CN(CCCC(=O)O)C.Cl
Isomeric Smiles
C(=O)(O)CCCN(C)C.Cl
Calculated Properties
JChem
Acid pKa
4.6909866
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5868468
LogD (pH = 7.4)
-2.5373144
Log P
-2.537653
Molar Refractivity
35.5271
Polarizability
13.835553
Polar Surface Area
40.54
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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