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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

Structural Alerts

There are no structural alerts for CHEMBL192812

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

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
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 ZINC01699888

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