Structure Info
- Chemspace ID
- CSCS03314532866 (Synthesis)
- IUPAC Name
- 1-[3-(2H-1,3-benzodioxol-5-yl)phenyl]-1H-pyrrole-2-carboxylic acid
- Mol formula
- C18H13NO4
- Mol weight
- 307 Da
- Catalog Number(s)
- PV-003789915576, Z9317904869, s_271570____10145076____24880432
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.78
- Heavy atoms count
- 23
- Rotatable bond count
- 3
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.055
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS03314532866
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