Name: 3-(4-chloro-2-fluoro-5-nitrophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
SMILES:
Cn1c(C(F)(F)F)cnc(-c2cc([N+](=O)[O-])c(Cl)cc2F)c1=OMolecular Processing
Molecular formula
C12H6ClF4N3O3
Molecular weight
351.64
Exact mass
351.0034
XLogP
3.17
TPSA
78.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
71.54
Supplementary Information
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