Structure

InChI Key JJJFUHOGVZWXNQ-UHFFFAOYSA-N
Smile C=C(C#N)C(=O)OCCCC
InChI
InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11NO2
Molecular Weight 153.18
AlogP 1.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 50.09
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Esophageal and Gastric Varices 3 D004932 ClinicalTrials

Cross References

Resources Reference
ChEBI 134778
ChEMBL CHEMBL2104251
DrugBank DB12358
DrugCentral 3056
EPA CompTox DTXSID5064417
FDA SRS F8CEP82QNP
KEGG C13415
PubChem 23087
SureChEMBL SCHEMBL24796
ZINC ZINC000002033854