SMILES:
COc1ccc2nc(SCc3nccc(OCC(F)(F)F)c3OC)[nH]c2c1Molecular Processing
Molecular formula
C17H16F3N3O3S
Molecular weight
399.39
Exact mass
399.0864
XLogP
4.21
TPSA
69.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
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
0.294
Molar refractivity
94.55
Supplementary Information
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