SMILES:
NC1=NC2(O)c3cc(-c4ccc(C(F)(F)F)cc4)ccc3CC2S1Molecular Processing
Molecular formula
C17H13F3N2OS
Molecular weight
350.37
Exact mass
350.0701
XLogP
3.5
TPSA
58.61
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
87.48
Supplementary Information
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