SMILES:
COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=S)Nc1cccc(C(=O)O)c1Molecular Processing
Molecular formula
C23H17F2N3O3S
Molecular weight
453.47
Exact mass
453.0959
XLogP
5.63
TPSA
86.38
H-bond donors
4
H-bond acceptors
3
Rotatable bonds
5
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
123.45
Supplementary Information
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