Name: 3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
SMILES:
COc1cc(-c2ncc(C(F)(F)F)n(C)c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C13H9ClF4N2O2
Molecular weight
336.67
Exact mass
336.0289
XLogP
3.27
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
71.44
Supplementary Information
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