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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL338297
CHEMBL338297
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14INO2

Additional synonyms for CHEMBL338297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CCN)c(OC)cc1I
Standard InChI InChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6 ...
Download InChI
Standard InChI Key PQHQBRJAAZQXHL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL338297

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
307.1 307.0069 1.8 4 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.42 2.84 .85 1 14 0.86

Structural Alerts

There are 4 structural alerts for CHEMBL338297. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PQHQBRJAAZQXHL-UHFFFAOYSA-N
Wikipedia 2C-I

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL338297



eMolecules 977205
FDA SRS S35362848V
IBM Patent System FA3B88CC8D0BF3B079D2E5EC8B9EEA84
Nikkaji J627.875B
PubChem 10267191
PubChem: Thomson Pharma 15271914
SureChEMBL SCHEMBL1067850
ZINC ZINC000003646048

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