SMILES:
CCOC(CNC(=O)c1ccncc1Nc1ccc(I)cc1F)OCCMolecular Processing
Molecular formula
C18H21FIN3O3
Molecular weight
473.29
Exact mass
473.0612
XLogP
3.7
TPSA
72.48
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
106.01
Supplementary Information
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