SMILES:
O=C(O)Cc1coc2c(F)c(OCc3cccnc3SC3CCCC3)c(F)cc12Molecular Processing
Molecular formula
C21H19F2NO4S
Molecular weight
419.45
Exact mass
419.1003
XLogP
5.35
TPSA
72.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
104.15
Supplementary Information
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