Molecule

ID:67298

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c1-7(2)4-6(5-8)9-3/h4-5H,1-3H3/b6-4+
InChIKey
RQHGOEZWYCFGCY-GQCTYLIASA-N
Canonic Smiles
CO/C(=C/N(C)C)/C=O
Isomeric Smiles
C(=O)/C(=C\N(C)C)/OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.4434643
LogD (pH = 7.4)
-0.4434643
Log P
-0.4434643
Molar Refractivity
36.7891
Polarizability
13.457127
Polar Surface Area
29.54
Rotatable Bonds
3
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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