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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252757
CHEMBL252757
Compound Name
ChEMBL Synonyms 2,3-Dihydroxybenzoic Acid Hydrazide
Max Phase 0
Trade Names
Molecular Formula C7H8N2O3

Additional synonyms for CHEMBL252757 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNC(=O)c1cccc(O)c1O
Standard InChI InChI=1S/C7H8N2O3/c8-9-7(12)4-2-1-3-5(10)6(4)11/h1-3,10-11H, ...
Download InChI
Standard InChI Key DMYJOOWXTBSSRB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL252757

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
168.2 168.0535 -0.3 1 95.58 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.27 3.08 .25 .12 1 12 0.2

Structural Alerts

There are 9 structural alerts for CHEMBL252757. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DMYJOOWXTBSSRB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252757



IBM Patent System 88DB1A86F2F02A69E232D4B1C0AAF62A
PubChem 14390907
PubChem: Thomson Pharma 49696166
SureChEMBL SCHEMBL723254
ZINC ZINC000028966883

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