GEA 3162   Click here for help

GtoPdb Ligand ID: 4200

Synonyms: GEA-3162 | GEA3162
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 69.04
Molecular weight 230.98
XLogP 2.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1on[n+](n1)c1ccc(c(c1)Cl)Cl
Isomeric SMILES Nc1on[n+](n1)c1ccc(c(c1)Cl)Cl
InChI InChI=1S/C7H5Cl2N4O/c8-5-2-1-4(3-6(5)9)13-11-7(10)14-12-13/h1-3H,(H2,10,11,12)/q+1
InChI Key KMVGWIQTUUBYAV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-amino-3-(3,4-dichlorophenyl)-1,2,3$l^{5},4-oxatriazol-3-ylium
Synonyms Click here for help
GEA-3162 | GEA3162
Database Links Click here for help
CAS Registry No. 144576-10-3 (source: Scifinder)
GtoPdb PubChem SID 178101017
PubChem CID 121921
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