Molecule

ID:77557

General Information
Structure
MolImage
Molecular Formula
C₄H₃NO₂
Molecular Mass
97.07212
Exact Mass
97.01637834
Charge
0
InChI
InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H
InChIKey
TYHOSUCCUICRLM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ncco1
Isomeric Smiles
n1c(occ1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.29387715
LogD (pH = 7.4)
0.2938772
Log P
0.2938772
Molar Refractivity
22.8154
Polarizability
8.318484
Polar Surface Area
43.1
Rotatable Bonds
1
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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