3-bromopyruvate   Click here for help

GtoPdb Ligand ID: 4517

Synonyms: bromopyruvic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 57.2
Molecular weight 164.92
XLogP -0.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-]C(=O)C(=O)CBr
Isomeric SMILES [O-]C(=O)C(=O)CBr
InChI InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1
InChI Key PRRZDZJYSJLDBS-UHFFFAOYSA-M
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-bromo-2-oxopropanoate
Synonyms Click here for help
bromopyruvic acid
Database Links Click here for help
GtoPdb PubChem SID 178101242
PubChem CID 6994776
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