Molecule
ID:34343
General Information
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H2,7,8)
InChIKey
KHDGSULFSVLOPM-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCCOC1
Isomeric Smiles
C1COCC(C1)C(=O)N
Calculated Properties
JChem
Acid pKa
16.310001
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4533751
LogD (pH = 7.4)
-0.45337507
Log P
-0.45337507
Molar Refractivity
33.0626
Polarizability
12.991205
Polar Surface Area
52.32
Rotatable Bonds
1
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
No Data Available
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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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