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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL351487
CHEMBL351487
Compound Name 2-NITROFLUORENE
ChEMBL Synonyms SID26757640 | 2-Nitrofluorene
Max Phase 0
Trade Names
Molecular Formula C13H9NO2

Additional synonyms for CHEMBL351487 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [O-][N+](=O)c1ccc2c(Cc3ccccc23)c1
Standard InChI InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12 ...
Download InChI
Standard InChI Key XFOHWECQTFIEIX-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL351487

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
211.2 211.0633 3.39 0 1 No No -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
- - 3.98 3.98 2 16 2 0.54

Compound Cross References

ChemSpider ChemSpider:XFOHWECQTFIEIX-UHFFFAOYSA-N
PubChem SID: 26757640
Wikipedia 2-Nitrofluorene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL351487



KEGG Ligand C10923
ChEBI 1224
ZINC ZINC00063322
eMolecules 592514
IBM Patent System F485092CBEC9EB6D8786BA5D8C47ED30
Patent US4347304 EP0626431B1 EP0020773A1 US5641594 US4321319 EP0337698B1 EP0076656A2 EP0043480A2 US3948667 EP0626431A1 US4294908 WO1999028289A1 US4703338 US4330612 US4626556 US4835193 US5429846 EP0337698A2
FDA SRS 191LL4U4GZ
SureChem SureCN644332
PubChem: Thomson Pharma 16179893
PubChem 11831
Mcule MCULE-3008908721
NMRShiftDB 20112707

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