Name: 3-(5-amino-4-fluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
SMILES:
Cn1c(C(F)(F)F)cnc(-c2ccc(F)c(N)c2)c1=OMolecular Processing
Molecular formula
C12H9F4N3O
Molecular weight
287.22
Exact mass
287.0682
XLogP
2.19
TPSA
60.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
64.29
Supplementary Information
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