SMILES:
CN1CCN(c2nc(-c3ccc(C(=O)O)cc3)c(F)s2)CC1Molecular Processing
Molecular formula
C15H16FN3O2S
Molecular weight
321.38
Exact mass
321.0947
XLogP
2.4
TPSA
56.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
84.18
Supplementary Information
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