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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16236
CHEMBL16236
Compound Name FLUORENE
ChEMBL Synonyms 9H-Fluorene | 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

Structural Alerts

There are no structural alerts for CHEMBL16236

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

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
ChEBI 28266
eMolecules 480275
FDA SRS 3Q2UY0968A
IBM Patent System 0392679BD26624A48978EB36687E1AA5
IBM Patents EP0714302A1 WO1998026691A2 US6133305 US5795839 WO2000022026A1 US6020337 WO1999016765A1 US5902907 US4952707 US6156769 US5645767 US5451555 EP0441453A3 EP0334830A2 US5672311 US5514817 US5514786 WO1995032979A1 WO1998001511A1 EP0422680A2 US5578252 US4683250 US5998045 US4132833 WO1998031697A1 WO2000077007A1 EP0792468A1 US6121495 US6022497 US5520809 WO1998001483A1 US5574288 US5629456 US4945106 EP0656893A1 US5132224 EP0440113A2 US5443753 US4977051 US4049721 US5625014 EP0269089B1 US5663030 EP0253370A1 US4595585 US5738695 US5861443 US5783116 US5227271 EP0228087B1 EP0548772B1 EP0391434A1 US4297514 US5830563 EP0773232A1 US3935009 EP0656895A1 US5545760 EP0598552B1 EP0922726A1 WO2000020478A1 US4367273 US4645618 WO2000052075A1 EP1035948A1 US5019474 EP0461651B1 US5344637 US5730890 WO1994004194A1 US5342567 WO1994022449A1 US5939462 US5739229 US3953163 EP0326311B1 US5658500 WO1997005184A1 US6018059 US4681865 WO2000025996A1 WO1999040062A1 US4922113 WO1998055477A1 WO1997042196A1 EP0842208A1 US6096246 US5756475 EP0267024B1 US4983363 WO1998029364A1 US5651923 EP0396943A2 US5369192 EP0877639A1 WO1998032037A1 US5128481 US5432010 EP0163748A1 EP0399508A1
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 ZINC00968333

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