Molecule

ID:68058

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-5H2,1H3
InChIKey
SIKTVUHUQZNEPY-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(=O)C1
Isomeric Smiles
N1(CC(=O)CCC1)C
Calculated Properties
JChem
Acid pKa
18.67352
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.5618994
LogD (pH = 7.4)
0.1976163
Log P
0.22478126
Molar Refractivity
32.5191
Polarizability
12.650581
Polar Surface Area
20.31
Rotatable Bonds
0
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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