SMILES:
NC1CCC(Sc2ccc(C(F)(F)F)cc2)CC1Molecular Processing
Molecular formula
C13H16F3NS
Molecular weight
275.34
Exact mass
275.0956
XLogP
4.07
TPSA
26.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
67.53
Supplementary Information
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