Name: 6-(4'-amino-3'-nitro-phenyl)-4,5-dihydro-3(2H)-pyridazinone
SMILES:
Nc1ccc(C2=NNC(=O)CC2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C10H10N4O3
Molecular weight
234.21
Exact mass
234.0753
XLogP
0.79
TPSA
110.62
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
61.42
Supplementary Information
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