4-{2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
4-{2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 6463-4542 |
| Compound Name: | 4-{2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 343.34 |
| Molecular Formula: | C21 H13 N O4 |
| Smiles: | C(=C1C(c2ccccc2C1=O)=O)c1cccn1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0868 |
| logD: | 1.2006 |
| logSw: | -4.2764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.484 |
| InChI Key: | SLIMNODFJZBOAV-UHFFFAOYSA-N |