Name: 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
SMILES:
Cn1c(C(F)(F)F)cnc(-c2cc(O)c(Cl)cc2F)c1=OMolecular Processing
Molecular formula
C12H7ClF4N2O2
Molecular weight
322.65
Exact mass
322.0132
XLogP
2.96
TPSA
55.12
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
66.55
Supplementary Information
Details werden geladen…
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