COC1=CN(N=C(C1=O)C2=CC=NN2C3=CC=CC=C3)C4=C(C=C(C=C4)I)F
名称: 1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILES: COC1=CN(N=C(C1=O)C2=CC=NN2C3=CC=CC=C3)C4=C(C=C(C=C4)I)F

Molecular Processing

Molecular formula
C20H14FIN4O2
Molecular weight
488.26
Exact mass
488.0146
XLogP
3.84
TPSA
61.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
111.62

Supplementary Information

InChIKey: ZAQMYXUQFUTLQE-UHFFFAOYSA-N
同義語
SCHEMBL518973ZAQMYXUQFUTLQE-UHFFFAOYSA-N1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
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