الاسم: methyl[1-(6-chloropyridazin-3-yl)-3-methyl-5-phenyl-1H-pyrazol-4-yl]acetate
SMILES:
COC(=O)Cc1c(C)nn(-c2ccc(Cl)nn2)c1-c1ccccc1Molecular Processing
Molecular formula
C17H15ClN4O2
Molecular weight
342.79
Exact mass
342.0884
XLogP
3.01
TPSA
69.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
90.06
Supplementary Information
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