이름: 4-methyl-6-(3'-nitro-4'-acetamino-phenyl)-4,5-dihydro-3(2H)-pyridazinone
SMILES:
CC(=O)Nc1ccc(C2=NNC(=O)C(C)C2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H14N4O4
Molecular weight
290.28
Exact mass
290.1015
XLogP
1.41
TPSA
113.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
75.86
Supplementary Information
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