SMILES:
COc1ccc(-c2csc(-c3ccc(-c4ccccc4[N+](=O)[O-])c(C(=O)O)c3)n2)c(F)c1Molecular Processing
Molecular formula
C23H15FN2O5S
Molecular weight
450.45
Exact mass
450.0686
XLogP
5.9
TPSA
102.56
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.043
Molar refractivity
118.55
Supplementary Information
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