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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL321266
CHEMBL321266
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H10O2

Additional synonyms for CHEMBL321266 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)C(O)c1ccccc1
Standard InChI InChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3
Standard InChI Key ZBFFNPODXBJBPW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL321266

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 1.31 2 37.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.33 - 1.25 1.25 1 11 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL321266. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZBFFNPODXBJBPW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL321266



ACToR 1798-60-3
MolPort MolPort-006-110-403
Nikkaji J182.070B
NMRShiftDB 20122831
PubChem 92733
PubChem: Thomson Pharma 15170886
SureChEMBL SCHEMBL26259

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