SMILES:
Cc1nc(-c2ccn(CCc3ccc(F)cc3)n2)sc1C(=O)OMolecular Processing
Molecular formula
C16H14FN3O2S
Molecular weight
331.37
Exact mass
331.0791
XLogP
3.4
TPSA
68.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
85.14
Supplementary Information
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