SMILES:
Fc1cccc(F)c1C1CC(c2csc(C3CCNOC3)n2)=NO1Molecular Processing
Molecular formula
C16H15F2N3O2S
Molecular weight
351.38
Exact mass
351.0853
XLogP
3.3
TPSA
55.74
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
84.76
Supplementary Information
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