Aglycone
AD08098
Formula: C13H9O2N5S
Smiles:
N#CC1=C(N)NC(S)=C(C#N)C1c1ccc([N+](=O)[O-])cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 299.32 | Num_heavy_atoms: | 21 |
| TPSA: | 128.77 | NumAromaticRings: | 1 |