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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3183363
CHEMBL3183363
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2HBr5

Additional synonyms for CHEMBL3183363 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES BrC(Br)C(Br)(Br)Br
Standard InChI InChI=1S/C2HBr5/c3-1(4)2(5,6)7/h1H
Standard InChI Key OGVPXEPSTZMAFF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3183363

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
424.6 419.5995 3.94 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
- - 4.02 4.02 0 7 0.52

Structural Alerts

There are 9 structural alerts for CHEMBL3183363. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OGVPXEPSTZMAFF-UHFFFAOYSA-N
PubChem SID: 144207769

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3183363



ACToR 75-95-6
eMolecules 3718255
EPA CompTox Dashboard DTXSID8025830
FDA SRS ZWF205EY92
IBM Patent System 2FF59C2F7969412E6F4EA1A4F0F5A209
Nikkaji J2.398A
PubChem 60967
SureChEMBL SCHEMBL396877
ZINC ZINC000095866606

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