Aglycone
AD06683
Formula: C13H11O2N3S
Smiles:
COc1ccc(-c2nc(SC)[nH]c(=O)c2C#N)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.32 | Num_heavy_atoms: | 19 |
| TPSA: | 78.77 | NumAromaticRings: | 2 |