SMILES:
O=C(CC1CCCC1)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C21H23F3N2O3S2
Molecular weight
472.55
Exact mass
472.1102
XLogP
5.19
TPSA
76.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
113.66
Supplementary Information
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