Molecule

ID:35924

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₃
Molecular Mass
143.14056
Exact Mass
143.05824315
Charge
0
InChI
InChI=1S/C6H9NO3/c1-3-10-6(9)5(2)7-4-8/h5H,3H2,1-2H3
InChIKey
PFIQRPNWLUAMOF-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OCC)N=C=O
Isomeric Smiles
C(=NC(C(=O)OCC)C)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.50683004
LogD (pH = 7.4)
0.50683004
Log P
0.50683004
Molar Refractivity
33.4344
Polarizability
13.150592
Polar Surface Area
55.73
Rotatable Bonds
4
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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