SMILES:
Cc1nc(NCCO)sc1-c1ccnc(Nc2ccc(F)cc2)n1Molecular Processing
Molecular formula
C16H16FN5OS
Molecular weight
345.4
Exact mass
345.106
XLogP
3.2
TPSA
82.96
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
93.14
Supplementary Information
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