Aglycone
AD05094
Formula: C13H7N5Br
Smiles:
N#CC1=C(c2ccc(Br)cc2)[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 313.14 | Num_heavy_atoms: | 19 |
| TPSA: | 89.69 | NumAromaticRings: | 2 |