Properties
HBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.56 |
AlogP: | -1.82 | Num_rotatable_bonds: | 1 |
MolWt: | 228.2 | Num_heavy_atoms: | 16 |
TPSA: | 104.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
MolWt: | 112.09 | Num_heavy_atoms: | 8 |
TPSA: | 65.72 | NumAromaticRings: | 1 |