SMILES:
O=C(O)CC(O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1Molecular Processing
Molecular formula
C25H20FN3O4S
Molecular weight
477.52
Exact mass
477.1159
XLogP
4.35
TPSA
112.41
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
126.15
Supplementary Information
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