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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL288787
CHEMBL288787
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H9NO3

Additional synonyms for CHEMBL288787 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(O)c1ccc(O)c(O)c1
Standard InChI InChI=1S/C7H9NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,7,9-11H,8H2
Standard InChI Key GMORFPHURZEPSE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL288787

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
155.2 155.0582 0.05 1 86.71 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.51 8.78 -1.28 -2.58 1 11 0.34

Structural Alerts

There are 4 structural alerts for CHEMBL288787. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GMORFPHURZEPSE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL288787



PubChem 44278971

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