SMILES:
N#Cc1ccc(-c2c[nH]nc2C(F)(F)F)cc1SCC1CCC1Molecular Processing
Molecular formula
C16H14F3N3S
Molecular weight
337.37
Exact mass
337.0861
XLogP
4.86
TPSA
52.47
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
81.81
Supplementary Information
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