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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL552761
CHEMBL552761
Compound Name
ChEMBL Synonyms Methomyl
Max Phase 0
Trade Names
Molecular Formula C5H10N2O2S

Additional synonyms for CHEMBL552761 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)O\N=C(/C)\SC
Standard InChI InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7- ...
Download InChI
Standard InChI Key UHXUZOCRWCRNSJ-QPJJXVBHSA-N

Structural Alerts

There are 10 structural alerts for CHEMBL552761. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL552761

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
162.2 162.0463 0.47 3 75.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.28 - .6 .6 0 10 0.28

Compound Cross References

ChemSpider ChemSpider:UHXUZOCRWCRNSJ-QPJJXVBHSA-N
PubChem SID: 26757125

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL552761



ACToR 19928-35-9
Human Metabolome Database HMDB31804
KEGG Ligand C11196
MolPort MolPort-023-220-449
Nikkaji J3.448G
NMRShiftDB 20208473
PubChem 5353758
PubChem: Thomson Pharma 14867449
SureChEMBL SCHEMBL27111
ZINC ZINC04652497

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