Aglycone
AD59340
Formula: C8H9O3N
Smiles:
CC(=O)OC1C=CC(O)(C#N)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.16 | Num_heavy_atoms: | 12 |
| TPSA: | 70.32 | NumAromaticRings: | 0 |
| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.16 | Num_heavy_atoms: | 12 |
| TPSA: | 70.32 | NumAromaticRings: | 0 |