ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16236
CHEMBL16236
Compound Name FLUORENE
ChEMBL Synonyms Fluorene | 9H-Fluorene
Max Phase 0
Trade Names
Molecular Formula C13H10

Additional synonyms for CHEMBL16236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1c2ccccc2c3ccccc13
Standard InChI InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H ...
Download InChI
Standard InChI Key NIHNNTQXNPWCJQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16236

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
166.2 166.0783 3.49 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.32 4.32 2 13 0.56

Structural Alerts

There are no structural alerts for CHEMBL16236

Compound Cross References

ChemSpider ChemSpider:NIHNNTQXNPWCJQ-UHFFFAOYSA-N
PubChem SID: 144210889 SID: 26757469
Wikipedia Fluorene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16236



ACToR 84987-80-4 2299-68-5 86-73-7
Brenda 6736
ChEBI 28266
eMolecules 480275
EPA CompTox Dashboard DTXSID8024105
FDA SRS 3Q2UY0968A
IBM Patent System 0392679BD26624A48978EB36687E1AA5
KEGG Ligand C07715
Mcule MCULE-2124580251
MolPort MolPort-000-872-083
Nikkaji J3.895D
NMRShiftDB 10016530
PDBe 9FL
PubChem 6853
PubChem: Thomson Pharma 15114528
SureChEMBL SCHEMBL8180
ZINC ZINC000000968333

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