SMILES:
O=S(=O)(c1ccc(Nc2ncnc3c2CCNC3)cc1)C(F)(F)FMolecular Processing
Molecular formula
C14H13F3N4O2S
Molecular weight
358.35
Exact mass
358.0711
XLogP
2.16
TPSA
83.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
80.41
Supplementary Information
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