ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908059
CHEMBL1908059
Compound Name DICHLOROFLUORESCEIN
ChEMBL Synonyms Dichlorofluorescein
Max Phase 0
Trade Names
Molecular Formula C20H10Cl2O5

Additional synonyms for CHEMBL1908059 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc2Oc3cc(O)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl
Standard InChI InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24 ...
Download InChI
Standard InChI Key VFNKZQNIXUFLBC-UHFFFAOYSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL1908059. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1908059

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
401.2 399.9905 5.07 0 75.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.1 - 2.46 2.38 3 27 0.52

Compound Cross References

ChemSpider ChemSpider:VFNKZQNIXUFLBC-UHFFFAOYSA-N
Wikipedia Dichlorofluorescein

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908059



ACToR 116189-73-2 76-54-0
ChEBI 51596
eMolecules 475190
FDA SRS 56NQM5UZT1
IBM Patent System C158E1FB7EDCEA6193A559D2BD7AB8A8
Mcule MCULE-3756364265
MolPort MolPort-003-925-237
Nikkaji J192.556C
PubChem 64944
PubChem: Thomson Pharma 14830536
SureChEMBL SCHEMBL157703
ZINC ZINC04261850

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