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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116296
CHEMBL116296
Compound Name IODOBENZENE
ChEMBL Synonyms Iodobenzene | Iodo-Benzene
Max Phase 0
Trade Names
Molecular Formula C6H5I

Additional synonyms for CHEMBL116296 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Ic1ccccc1
Standard InChI InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
Standard InChI Key SNHMUERNLJLMHN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116296

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
204 203.9436 2.29 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.33 3.33 1 7 0.57

Structural Alerts

There are 4 structural alerts for CHEMBL116296. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SNHMUERNLJLMHN-UHFFFAOYSA-N
Wikipedia Iodobenzene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116296



ACToR 172484-65-0 591-50-4
Brenda 55174
ChemicalBook CB0700740
DrugBank DB02252
eMolecules 523225
EPA CompTox Dashboard DTXSID8060452
FDA SRS 9HK5L7YBBR
IBM Patent System 3D0E50E30F7EF141AD0FAF46E22100E0 8FDFAB5BEEBE674AB89F6EC0EF3B08CA
Mcule MCULE-7469705320
MolPort MolPort-000-156-438
Nikkaji J2.690E
NMRShiftDB 20036225
PDBe PIH
PubChem 11575
PubChem: Thomson Pharma 14867824
SureChEMBL SCHEMBL1587
ZINC ZINC000001699878

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