SMILES:
Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C4OCCO4)c3c2)c1=OMolecular Processing
Molecular formula
C16H12F3N3O4S
Molecular weight
399.35
Exact mass
399.0501
XLogP
2.21
TPSA
75.35
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
90.11
Supplementary Information
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