Jdr 004
Basic information
- CAS
19395-50-7- Standard SMILES
O=C(O)C=NNS(=O)(=O)c1ccccc1- InChIKey
RCQAMFWVAJUBGD-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4S
- Average molar mass
- 228.23 g/mol
- Monoisotopic mass
- 228.02047791
Overview
glutamine antagonist; reduces motility of Brugia pahangi; structure given in first source
Names & identifiers
- Preferred name
- Jdr 004
- IUPAC
- 2-(benzenesulfonylhydrazinylidene)acetic acid
Names & synonyms
Jdr-004Jdr 00419395-50-7RefChem:150453Glyoxylic acid, 2-((phenylsulfonyl)hydrazone)orb1696856SCHEMBL11420090DTXSID80941088NSC 245422[2-(Benzenesulfonyl)hydrazinylidene]acetic acid
Database identifiers
- CAS
19395-50-7- PubChem CID
- 99872
- DTXSID
DTXSID80941088
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 338
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Related reactions
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Compound notes
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