Name: 3-(5-amino-2,4-dichlorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
SMILES:
Cn1c(C(F)(F)F)cnc(-c2cc(N)c(Cl)cc2Cl)c1=OMolecular Processing
Molecular formula
C12H8Cl2F3N3O
Molecular weight
338.12
Exact mass
336.9997
XLogP
3.36
TPSA
60.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
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
0.167
Molar refractivity
74.35
Supplementary Information
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