Molecule

ID:53484

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
InChIKey
HUUPVABNAQUEJW-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(=O)CC1
Isomeric Smiles
N1(CCC(=O)CC1)C
Calculated Properties
JChem
Acid pKa
17.888731
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.3481922
LogD (pH = 7.4)
0.024017591
Log P
0.17313279
Molar Refractivity
32.4635
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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