Structure Info
- Chemspace ID
- CSMB02357366609 (Enamine MADE)
- IUPAC Name
- N-(but-3-yn-1-yl)-4-chloro-3,5-dimethoxyaniline
- Mol formula
- C12H14ClNO2
- Mol weight
- 240 Da
- Catalog Number(s)
- BBV-1210174612, Z2360911610, s_38_10910648_18060658, s_38____10910648____18060658
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.25
- Heavy atoms count
- 16
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 30
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB02357366609
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