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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797272
CHEMBL1797272
Compound Name BENZ(B)ANTHRACENE
ChEMBL Synonyms Benz(B)Anthracene
Max Phase 0
Trade Names
Molecular Formula C18H12

Additional synonyms for CHEMBL1797272 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2cc3cc4ccccc4cc3cc2c1
Standard InChI InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18 ...
Download InChI
Standard InChI Key IFLREYGFSNHWGE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1797272

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
228.3 228.0939 5.15 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 0 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.73 5.73 4 18 0.37

Structural Alerts

There are 6 structural alerts for CHEMBL1797272. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IFLREYGFSNHWGE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797272



ACToR 92-24-0
ChEBI 32600
eMolecules 479481
EPA CompTox Dashboard DTXSID4059045
FDA SRS QYJ5Z6712R
IBM Patent System 0EFF847011D3CA698CEA38466286BF3E
Mcule MCULE-3247054216
MolPort MolPort-003-926-080
Nikkaji J1.536.811J J4.651E
PubChem 7080
PubChem: Thomson Pharma 14822851
SureChEMBL SCHEMBL7947
ZINC ZINC000002041197

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