ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

Structural Alerts

There are no structural alerts for CHEMBL370687

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

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
spacer