Structure Info
- Chemspace ID
- CSMB02150198442 (Enamine MADE)
- MFCD
- MFCD26657822
- IUPAC Name
- 4-[(1,1-dioxo-1λ⁶-thiolan-3-yl)amino]-5-methyl-1H-pyrazole-3-carboxylic acid
- Mol formula
- C9H13N3O4S
- Mol weight
- 259 Da
- Catalog Number(s)
- BBV-161790306
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.58
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.555
- Polar surface area (Å)
- 112
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB02150198442
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