4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzoic acid
Chemical Structure Depiction of
4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzoic acid
4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | C798-0294 |
| Compound Name: | 4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzoic acid |
| Molecular Weight: | 331.41 |
| Molecular Formula: | C22 H21 N O2 |
| Smiles: | C1CCc2cc(c3ccccc3)n(c3ccc(cc3)C(O)=O)c2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.8216 |
| logD: | 2.9354 |
| logSw: | -5.7138 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3056 |
| InChI Key: | SIIIJDJTXNJBIP-UHFFFAOYSA-N |