ISOPENTYL 2-CYANOACRYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 3977IRA64J

Structure
InChI Key GASDVTHQNCFANM-UHFFFAOYSA-N
Smile C=C(C#N)C(=O)OCCC(C)C
InChI
InChI=1S/C9H13NO2/c1-7(2)4-5-12-9(11)8(3)6-10/h7H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13NO2
Molecular Weight 167.21
AlogP 1.66
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 12.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypospadias 2 D007021 ClinicalTrials
Infertility 1 D007246 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297394
DrugBank DB12630
EPA CompTox DTXSID30173115
FDA SRS 3977IRA64J
SureChEMBL SCHEMBL450802
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