Molecule
ID:57288
General Information
Molecular Formula
C₆H₁₂ClNO
Molecular Mass
149.61858
Exact Mass
149.06074169
Charge
0
InChI
InChI=1S/C6H12ClNO/c1-5(2)8-6(9)3-4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
ALFWYWDQZOWABE-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)NC(C)C
Isomeric Smiles
C(=O)(NC(C)C)CCCl
Calculated Properties
JChem
Acid pKa
14.227369
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.74112725
LogD (pH = 7.4)
0.7411272
Log P
0.74112725
Molar Refractivity
37.9826
Polarizability
14.848238
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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