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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8301
CHEMBL8301
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16N2O4

Additional synonyms for CHEMBL8301 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(c(OC)cc1CC(C)N)[N+](=O)[O-]
Standard InChI InChI=1S/C11H16N2O4/c1-7(12)4-8-5-11(17-3)9(13(14)15)6-10(8) ...
Download InChI
Standard InChI Key JQJRESSXOVAECC-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL8301. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL8301

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
240.3 240.111 1.5 5 90.3 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.86 1.8 .34 1 17 0.62

Compound Cross References

ChemSpider ChemSpider:JQJRESSXOVAECC-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-nitroamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8301



ACToR 67460-68-8
BindinDB 50014996
PubChem 105432
PubChem: Thomson Pharma 15121905
SureChEMBL SCHEMBL1044696

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