SMILES:
Cc1nc(-c2cncc(I)n2)sc1C(=O)NCc1ccc(F)cc1Molecular Processing
Molecular formula
C16H12FIN4OS
Molecular weight
454.27
Exact mass
453.9761
XLogP
3.58
TPSA
67.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
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
0.125
Molar refractivity
98.16
Supplementary Information
Details werden geladen…
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