SMILES:
Cc1c(C2=NN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c2cc(F)ccc2n1CC(=O)OMolecular Processing
Molecular formula
C25H19ClFN3O4S
Molecular weight
511.96
Exact mass
511.0769
XLogP
4.78
TPSA
91.97
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
130.53
Supplementary Information
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