Molecule

ID:90194

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₃
Molecular Mass
143.14056
Exact Mass
143.05824315
Charge
0
InChI
InChI=1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3
InChIKey
XBSGYVHOINMTIM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN=C=O
Isomeric Smiles
O=C=NCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.17507853
LogD (pH = 7.4)
0.17507853
Log P
0.17507853
Molar Refractivity
33.6399
Polarizability
13.150592
Polar Surface Area
55.73
Rotatable Bonds
5
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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