ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL903
CHEMBL903
Compound Name HYDRAZINECARBOXAMIDE
ChEMBL Synonyms Semicarbazide Hydrochloride | Semicarbazide (SEM)
Max Phase 0
Trade Names
Molecular Formula CH5N3O

Additional synonyms for CHEMBL903 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNC(=O)N
Standard InChI InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
Standard InChI Key DUIOPKIIICUYRZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL903

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
75.1 75.0433 -1.47 0 81.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.87 3.5 -2.75 -2.75 0 5 0.19

Structural Alerts

There are 6 structural alerts for CHEMBL903. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DUIOPKIIICUYRZ-UHFFFAOYSA-N
PubChem SID: 11111784 SID: 90341010
Wikipedia Semicarbazide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL903



ACToR 57-56-7 563-41-7
BindingDB 50108606
Brenda 170943 382 98137
ChEBI 28306
eMolecules 501086
EPA CompTox Dashboard DTXSID7043823
FDA SRS 37QUC23K2X
IBM Patent System 77794019939F73A53A245ED75756ED4C
KEGG Ligand C02077
Mcule MCULE-8490374775
MolPort MolPort-001-779-765
Nikkaji J4.582I
PubChem 57038720 5196
PubChem: Thomson Pharma 15218627
SureChEMBL SCHEMBL15393
ZINC ZINC000008035043

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