SMILES:
O=C(NCc1cn(-c2ccc(I)cc2F)nn1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C14H9ClFIN4OS
Molecular weight
462.68
Exact mass
461.9214
XLogP
3.66
TPSA
59.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
94.53
Supplementary Information
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