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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109034
CHEMBL109034
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H10O2

Additional synonyms for CHEMBL109034 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC\C=C\c1ccc(O)cc1
Standard InChI InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/ ...
Download InChI
Standard InChI Key PTNLHDGQWUGONS-OWOJBTEDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109034

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
150.2 150.0681 1.4 2 40.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.99 - 1.37 1.37 1 11 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL109034. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PTNLHDGQWUGONS-OWOJBTEDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109034



ACToR 3690-05-9
Brenda 158750 12482 6575
ChEBI 64555
FDA SRS 61POZ1QQ11
Human Metabolome Database HMDB0003654
KEGG Ligand C02646
Metabolights MTBLC64555
MolPort MolPort-002-886-915
Nikkaji J117.130E J246.054H
PubChem 5280535
PubChem: Thomson Pharma 15194715
Rhea 64555
SureChEMBL SCHEMBL221967
ZINC ZINC000001529484

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