SMILES:
Cc1nnc(CNC(=O)c2cc(C(=O)c3c(F)cc(F)cc3F)c[nH]2)s1Molecular Processing
Molecular formula
C16H11F3N4O2S
Molecular weight
380.35
Exact mass
380.0555
XLogP
2.75
TPSA
87.74
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
86.36
Supplementary Information
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