SMILES:
Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc(OCC(=O)[O-])cc3)cc2)cs1Molecular Processing
Molecular formula
C26H20FN4O5S-
Molecular weight
519.53
Exact mass
519.1144
XLogP
2.95
TPSA
137.68
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
135.61
Supplementary Information
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