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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15871
CHEMBL15871
Compound Name PROPIONITRILE
ChEMBL Synonyms Propionitrile
Max Phase 0
Trade Names
Molecular Formula C3H5N

Additional synonyms for CHEMBL15871 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC#N
Standard InChI InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
Standard InChI Key FVSKHRXBFJPNKK-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL15871

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
55.1 55.0422 0.71 0 23.79 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .18 .18 0 4 0.4

Structural Alerts

There are no structural alerts for CHEMBL15871

Compound Cross References

ChemSpider ChemSpider:FVSKHRXBFJPNKK-UHFFFAOYSA-N
PubChem SID: 144208333 SID: 17389606
Wikipedia Propionitrile

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15871



ACToR 68130-67-6 107-12-0
ChEBI 26307
eMolecules 486457
EPA CompTox Dashboard DTXSID1021879
FDA SRS E16N05FX3S
Mcule MCULE-9484970536
MolPort MolPort-001-785-582
Nikkaji J4.054A
NMRShiftDB 10017066
PDBe CNV
PubChem 7854
PubChem: Thomson Pharma 15218595
SureChEMBL SCHEMBL15485
ZINC ZINC06072456

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FVSKHRXBFJPNKK-UHFFFAOYSA-N spacer
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