4-(1,4,7-trioxa-10-azacyclododecane-10-sulfonyl)benzoic acid
Chemical Structure Depiction of
4-(1,4,7-trioxa-10-azacyclododecane-10-sulfonyl)benzoic acid
4-(1,4,7-trioxa-10-azacyclododecane-10-sulfonyl)benzoic acid
Compound characteristics
| Compound ID: | 6017-0050 |
| Compound Name: | 4-(1,4,7-trioxa-10-azacyclododecane-10-sulfonyl)benzoic acid |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C15 H21 N O7 S |
| Smiles: | C1COCCOCCOCCN1S(c1ccc(cc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7961 |
| logD: | -2.2618 |
| logSw: | -2.1957 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.414 |
| InChI Key: | LWSHYGFBOUZOIL-UHFFFAOYSA-N |