Structure Info
- Chemspace ID
- CSMB15029543172 (Enamine MADE)
- IUPAC Name
- prop-2-yn-1-yl [(3-methylphenyl)carbamoyl]formate
- Mol formula
- C12H11NO3
- Mol weight
- 217 Da
- Catalog Number(s)
- BBV-1214484490, s_1458_25957346_484372, s_1458____25957346____484372
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.29
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 55
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB15029543172
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