Cc1c(Nc2ccc(I)cc2F)c(N)c2n(c1=O)CCS2
SMILES: Cc1c(Nc2ccc(I)cc2F)c(N)c2n(c1=O)CCS2

Molecular Processing

Molecular formula
C14H13FIN3OS
Molecular weight
417.25
Exact mass
416.9808
XLogP
3.33
TPSA
60.05
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
92.98

Supplementary Information

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