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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL370687
CHEMBL370687
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H10

Additional synonyms for CHEMBL370687 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Cc2ccccc2C1
Standard InChI InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
Standard InChI Key PQNFLJBBNBOBRQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL370687

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
118.2 118.0783 2.89 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
- - 3.21 3.21 1 9 0.49

Structural Alerts

There are no structural alerts for CHEMBL370687

Compound Cross References

ChemSpider ChemSpider:PQNFLJBBNBOBRQ-UHFFFAOYSA-N
Wikipedia Indane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL370687



ACToR 56573-11-6 496-11-7 68606-28-0
BindingDB 50167998
ChEBI 37911
eMolecules 510442
EPA CompTox Dashboard DTXSID4052132
FDA SRS H9SCX043IG
Human Metabolome Database HMDB59837
IBM Patent System 46FA2CCB01AC88CB0A937FB9728A16E7
Mcule MCULE-9526557353
MolPort MolPort-001-759-960
Nikkaji J20.933C
NMRShiftDB 10016525
PDBe 16N
PubChem 10326
PubChem: Thomson Pharma 15165126
SureChEMBL SCHEMBL9662
ZINC ZINC01680824

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