Structure Info
- Chemspace ID
- CSMB00027162969 (Enamine MADE)
- CAS
- 1280810-62-9
- IUPAC Name
- 2-[methyl(prop-2-yn-1-yl)amino]ethyl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate
- Mol formula
- C15H16N2O6
- Mol weight
- 320 Da
- Catalog Number(s)
- CSC027162969, EN300-26622962, Z1136406291
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.68
- Heavy atoms count
- 23
- Rotatable bond count
- 7
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.4
- Polar surface area (Å)
- 91
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00027162969
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