Structure

InChI Key MWCLLHOVUTZFKS-UHFFFAOYSA-N
Smile C=C(C#N)C(=O)OC
InChI
InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5NO2
Molecular Weight 111.1
AlogP 0.24
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 50.09
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 8.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Wounds and Injuries 2 D014947 ClinicalTrials
Pilonidal Sinus 1 D010864 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2106424
EPA CompTox DTXSID4025589
FDA SRS WN7979561R
PubChem 8711
SureChEMBL SCHEMBL15701
ZINC ZINC000000001657