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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19912
CHEMBL19912
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H9N

Additional synonyms for CHEMBL19912 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1ccc2ccccc12
Standard InChI InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
Standard InChI Key BLRHMMGNCXNXJL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19912

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 2.33 0 4.93 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.48 2.48 2 10 0.52

Structural Alerts

There are no structural alerts for CHEMBL19912

Compound Cross References

ChemSpider ChemSpider:BLRHMMGNCXNXJL-UHFFFAOYSA-N
Wikipedia 1-Methylindole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19912



ACToR 603-76-9
BindingDB 50098763
eMolecules 487004
EPA CompTox Dashboard DTXSID3060534
FDA SRS 8H698ROJ5F
IBM Patent System 7C1006E72649635C6E67AD169ED62F72
Mcule MCULE-1550838606
MolPort MolPort-001-758-848
Nikkaji J45.593H
NMRShiftDB 10018782
PubChem 11781
PubChem: Thomson Pharma 14818201
SureChEMBL SCHEMBL29812
ZINC ZINC000001750961

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