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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797274
CHEMBL1797274
Compound Name BENZO[B]FLUORENE
ChEMBL Synonyms Benzo[B]Fluorene
Max Phase 0
Trade Names
Molecular Formula C17H12

Additional synonyms for CHEMBL1797274 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1c2ccccc2c3cc4ccccc4cc13
Standard InChI InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8 ...
Download InChI
Standard InChI Key HAPOJKSPCGLOOD-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1797274

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
216.3 216.0939 4.4 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
- - 5.51 5.51 3 17 0.52

Structural Alerts

There are no structural alerts for CHEMBL1797274

Compound Cross References

ChemSpider ChemSpider:HAPOJKSPCGLOOD-UHFFFAOYSA-N
Wikipedia Benzo(b)fluoranthene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797274



ACToR 243-17-4 30777-19-6
ChEBI 34566
eMolecules 479685
EPA CompTox Dashboard DTXSID1022477
FDA SRS GMO75RUY0L
IBM Patent System 046D4EF08C43C45D209737D04FF96AF8
KEGG Ligand C14384
MolPort MolPort-003-802-856
Nikkaji J8.504I
NMRShiftDB 20096419
PubChem 9201
PubChem: Thomson Pharma 16637878
SureChEMBL SCHEMBL599104
ZINC ZINC01570220

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