Molecule

ID:31598

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H12ClNO2/c1-10-4-2-3-8-6(9)5-7/h2-5H2,1H3,(H,8,9)
InChIKey
PAPAAHYQIUKDQT-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(=O)CCl
Isomeric Smiles
C(=O)(NCCCOC)CCl
Calculated Properties
JChem
Acid pKa
13.157737
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.25628424
LogD (pH = 7.4)
-0.2562849
Log P
-0.2562842
Molar Refractivity
40.0247
Polarizability
15.597443
Polar Surface Area
38.33
Rotatable Bonds
5
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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