Molecule

ID:75729

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-5-3-4-7(2)6(5)8/h5H,3-4H2,1-2H3
InChIKey
BCNBMSZKALBQEF-UHFFFAOYSA-N
Canonic Smiles
O=C1C(C)CCN1C
Isomeric Smiles
N1(CCC(C1=O)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.18705282
LogD (pH = 7.4)
0.18705304
Log P
0.18705304
Molar Refractivity
31.7291
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
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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