SMILES:
COc1cc(C(Nc2ccc(C(=N)N)cc2)c2nn(-c3ccsc3C(=O)O)c(=O)[nH]2)c(F)c2c1OCCO2Molecular Processing
Molecular formula
C24H21FN6O6S
Molecular weight
540.53
Exact mass
540.1227
XLogP
2.72
TPSA
177.57
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
135.89
Supplementary Information
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