Aglycone
AD00485
Formula: C16H11ON2ClS
Smiles:
CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.79 | Num_heavy_atoms: | 20 |
| TPSA: | 56.65 | NumAromaticRings: | 2 |