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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL326430
CHEMBL326430
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H9N

Additional synonyms for CHEMBL326430 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc2cc[nH]c12
Standard InChI InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3
Standard InChI Key KGWPHCDTOLQQEP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL326430

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
131.2 131.0735 2.61 0 15.79 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.59 2.59 2 10 0.57

Structural Alerts

There are no structural alerts for CHEMBL326430

Compound Cross References

ChemSpider ChemSpider:KGWPHCDTOLQQEP-UHFFFAOYSA-N
Wikipedia 7-Methylindole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL326430



ACToR 933-67-5
Brenda 24583
eMolecules 529013
EPA CompTox Dashboard DTXSID60239374
FDA SRS 7Z1E6HIT9S
IBM Patent System DE4C3D364FE11DD17FD6E2975A72A4B5
Mcule MCULE-2411398254
MolPort MolPort-000-139-354
Nikkaji J147.227E
NMRShiftDB 10018789
PubChem 70275
PubChem: Thomson Pharma 15934409
SureChEMBL SCHEMBL129649
ZINC ZINC000001494930

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