Aglycone
AD59611
Formula: C13H13O5N
Smiles:
COc1cc(C(=O)OCC(C#N)=CCO)ccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 263.25 | Num_heavy_atoms: | 19 |
| TPSA: | 99.78 | NumAromaticRings: | 1 |