Structure Info
- Chemspace ID
- CSMB00115157418 (Enamine MADE)
- IUPAC Name
- 2-amino-5-(but-3-yn-2-yloxy)-4-methoxybenzoic acid
- Mol formula
- C12H13NO4
- Mol weight
- 235 Da
- Catalog Number(s)
- BBV-150315691, CSC115157418
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.78
- Heavy atoms count
- 17
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00115157418
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