Molecule
ID:27635
General Information
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c1-2-9-5-3-4-7-6-8/h2-5H2,1H3
InChIKey
YTCZSDNDGWZYNK-UHFFFAOYSA-N
Canonic Smiles
CCOCCCN=C=O
Isomeric Smiles
C(=NCCCOCC)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.32717267
LogD (pH = 7.4)
0.32717267
Log P
0.32717267
Molar Refractivity
33.9957
Polarizability
13.00327
Polar Surface Area
38.66
Rotatable Bonds
5
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
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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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