SMILES:
NCC1CC2CC2N1C(=O)c1nc(N)sc1-c1cccc(F)c1Molecular Processing
Molecular formula
C16H17FN4OS
Molecular weight
332.4
Exact mass
332.1107
XLogP
2.09
TPSA
85.24
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.44
Supplementary Information
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