SMILES:
CC1(C#Cc2cnc3c(c2)C2(COC(N)=N2)c2cc(OS(=O)(=O)C(F)(F)F)ccc2O3)COC1Molecular Processing
Molecular formula
C21H16F3N3O6S
Molecular weight
495.44
Exact mass
495.0712
XLogP
2.39
TPSA
122.33
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
2
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.51
Supplementary Information
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