Molecule
ID:122847
General Information
Molecular Formula
C₅H₁₀ClNO₂
Molecular Mass
151.5914
Exact Mass
151.04000625
Charge
0
InChI
InChI=1S/C5H10ClNO2/c1-5(2,3-6)4(8)7-9/h9H,3H2,1-2H3,(H,7,8)
InChIKey
LOBXXWMXAMOBAH-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)NO)(C)C
Isomeric Smiles
C(C(=O)NO)(CCl)(C)C
Calculated Properties
JChem
Acid pKa
8.832446
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8396861
LogD (pH = 7.4)
0.8242068
Log P
0.8398871
Molar Refractivity
34.7586
Polarizability
13.712934
Polar Surface Area
49.33
Rotatable Bonds
2
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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