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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1565705
CHEMBL1565705
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H3Cl2NO

Additional synonyms for CHEMBL1565705 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1Cl)N=C=O
Standard InChI InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
Standard InChI Key MFUVCHZWGSJKEQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1565705

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
188 186.9592 2.96 1 29.43 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.09 4.09 1 11 0.49

Structural Alerts

There are 8 structural alerts for CHEMBL1565705. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFUVCHZWGSJKEQ-UHFFFAOYSA-N
PubChem SID: 144207283 SID: 17389287

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1565705



ACToR 102-36-3
ChemicalBook CB9761511
eMolecules 491384
EPA CompTox Dashboard DTXSID9033008
FDA SRS OZW0B7F1DU
IBM Patent System 901B20D6D8E9838587A84970868D947A
Mcule MCULE-4074976494
MolPort MolPort-001-641-060
Nikkaji J70.203J
PubChem 7607
PubChem: Thomson Pharma 16106391
SureChEMBL SCHEMBL58874
ZINC ZINC000001707972

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