Aglycone
AD45121
Formula: C6H7O5NS
Smiles:
N#CC1(O)C=CC(OS(=O)(=O)O)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.19 | Num_heavy_atoms: | 13 |
| TPSA: | 107.62 | NumAromaticRings: | 0 |
