CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)Cl
名称: 4-chloro-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)Cl

Molecular Processing

Molecular formula
C13H10ClF3N2O3S
Molecular weight
366.75
Exact mass
366.0053
XLogP
2.53
TPSA
69.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
78.11

Supplementary Information

InChIKey: KNMCZSNDSSMJRZ-UHFFFAOYSA-N
同義語
2-(2,2,2-trifluoroethyl)-4-chloro-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinoneSCHEMBL4180488
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