Aglycone

AD04025
Formula: C16H13ON2ClS
Smiles:
CC(=O)C1=C(C)NC(S)=C(C#N)C1c1ccc(Cl)cc1HBA: | 3 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.2 |
AlogP: | 3.55 | Num_rotatable_bonds: | 2 |
MolWt: | 304.8 | Num_heavy_atoms: | 20 |
TPSA: | 52.89 | NumAromaticRings: | 1 |