Molecule

ID:75730

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-5-3-6(8)7(2)4-5/h5H,3-4H2,1-2H3
InChIKey
AXSSJSFXWMOTEN-UHFFFAOYSA-N
Canonic Smiles
CC1CC(=O)N(C1)C
Isomeric Smiles
N1(CC(CC1=O)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.009039389
LogD (pH = 7.4)
0.009039591
Log P
0.009039594
Molar Refractivity
31.6262
Polarizability
12.265093
Polar Surface Area
20.31
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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