Molecule

ID:35913

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₃
Molecular Mass
129.11398
Exact Mass
129.04259309
Charge
0
InChI
InChI=1S/C5H7NO3/c1-4(6-3-7)5(8)9-2/h4H,1-2H3
InChIKey
ZYILYULSVKLHKZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OC)N=C=O
Isomeric Smiles
C(=NC(C(=O)OC)C)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.15002207
LogD (pH = 7.4)
0.15002207
Log P
0.15002207
Molar Refractivity
28.6858
Polarizability
11.340778
Polar Surface Area
55.73
Rotatable Bonds
3
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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