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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL192812
CHEMBL192812
Compound Name INDENE
ChEMBL Synonyms 1H-Indene
Max Phase 0
Trade Names
Molecular Formula C9H8

Additional synonyms for CHEMBL192812 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1C=Cc2ccccc12
Standard InChI InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
Standard InChI Key YBYIRNPNPLQARY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL192812

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
116.2 116.0626 2.44 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
- - 3.04 3.04 1 9 0.49

Structural Alerts

There are no structural alerts for CHEMBL192812

Compound Cross References

ChemSpider ChemSpider:YBYIRNPNPLQARY-UHFFFAOYSA-N
PubChem SID: 144211532
Wikipedia Indene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL192812



ACToR 95-13-6 9003-64-9 71551-80-9
BindingDB 50167941
ChEBI 41921
eMolecules 484960
EPA CompTox Dashboard DTXSID8042052
FDA SRS 67H8Y6LB8A
IBM Patent System 0711402E253048992D990C76A18E5228 B5B460B38CAE1C01F9C52568894BB587 7BAF2CC22BB13E59DF7891BD3BAB2854
Mcule MCULE-7457676330
MolPort MolPort-000-872-023
Nikkaji J4.708B
NMRShiftDB 10016571
PDBe DEN
PubChem 7219
PubChem: Thomson Pharma 15114445
SureChEMBL SCHEMBL8617
ZINC ZINC000001699888

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