이름: 6-(4-amino-3-nitrophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
SMILES:
CC1CC(=O)NN=C1c1ccc(N)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C11H12N4O3
Molecular weight
248.24
Exact mass
248.0909
XLogP
1.04
TPSA
110.62
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
65.97
Supplementary Information
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