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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL233218
CHEMBL233218
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H10ClN

Additional synonyms for CHEMBL233218 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1)n2ccc3ccccc23
Standard InChI InChI=1S/C14H10ClN/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-1 ...
Download InChI
Standard InChI Key KHYIDGIPLSNPHO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL233218

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
227.7 227.0502 4.57 1 4.93 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.98 3.98 3 16 0.57

Structural Alerts

There are no structural alerts for CHEMBL233218

Compound Cross References

ChemSpider ChemSpider:KHYIDGIPLSNPHO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL233218



BindingDB 50209186
eMolecules 1156374
IBM Patent System 226C16FC6AB184C2CB4412006402A5E7
Mcule MCULE-3818473591
Nikkaji J1.728.430D
PubChem 775716
PubChem: Thomson Pharma 16582794
SureChEMBL SCHEMBL5661839
ZINC ZINC000000264448

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