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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1076356
CHEMBL1076356
Compound Name CLOMAZONE
ChEMBL Synonyms Clomazone
Max Phase 0
Trade Names
Molecular Formula C12H14ClNO2

Additional synonyms for CHEMBL1076356 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CON(Cc2ccccc2Cl)C1=O
Standard InChI InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10 ...
Download InChI
Standard InChI Key KIEDNEWSYUYDSN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1076356

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
239.7 239.0713 2.49 2 29.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.54 2.54 1 16 0.79

Structural Alerts

There are no structural alerts for CHEMBL1076356

Compound Cross References

HRAC F3 - BLEACHING: INHIBITION OF CAROTENOID BIOSYNTHESIS (UNKNOWN TARGET)
F32 - ISOXAZOLIDINONE
F321 - CLOMAZONE
ChemSpider ChemSpider:KIEDNEWSYUYDSN-UHFFFAOYSA-N
PubChem SID: 144211275 SID: 26757339
Wikipedia Clomazone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1076356



ACToR 81777-89-1
ChEBI 3751
eMolecules 510933
EPA CompTox Dashboard DTXSID1032355
FDA SRS 570RAC03NF
IBM Patent System 153BC5EAC72C44FBC5650298676AD213
KEGG Ligand C11095
MolPort MolPort-003-933-673
Nikkaji J134.068I
PubChem 54778
PubChem: Thomson Pharma 15196399
SureChEMBL SCHEMBL23519
ZINC ZINC000000900785

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