이름: 6-(4-chloro-3-nitrophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
SMILES:
CC1CC(=O)NN=C1c1ccc(Cl)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C11H10ClN3O3
Molecular weight
267.67
Exact mass
267.0411
XLogP
2.11
TPSA
84.6
H-bond donors
1
H-bond acceptors
4
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
66.57
Supplementary Information
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