SMILES:
O=S(CCO)CCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21Molecular Processing
Molecular formula
C23H20ClF3N4O3S
Molecular weight
524.95
Exact mass
524.0897
XLogP
5.38
TPSA
89.27
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
128.74
Supplementary Information
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