SMILES:
O=C1N(c2ccc3ncsc3c2)CC(C(F)(F)F)N1c1cccnc1Molecular Processing
Molecular formula
C16H11F3N4OS
Molecular weight
364.35
Exact mass
364.0606
XLogP
4.07
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
88.92
Supplementary Information
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