Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 603P14DHEB

Structure

InChI Key WYVVKGNFXHOCQV-UHFFFAOYSA-N
Smile CCCCNC(=O)OCC#CI
InChI
InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12INO2
Molecular Weight 281.09
AlogP 1.91
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Fatigue Syndrome, Chronic 1 D015673 ClinicalTrials

Cross References

Resources Reference
ChEBI 83279
ChEMBL CHEMBL1893913
DrugBank DB15666
EPA CompTox DTXSID0028038
FDA SRS 603P14DHEB
SureChEMBL SCHEMBL114369
ZINC ZINC000001850357