SMILES:
O=C(NCc1ccccc1)c1ccncc1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C19H15FIN3O
Molecular weight
447.25
Exact mass
447.0244
XLogP
4.5
TPSA
54.02
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
104.25
Supplementary Information
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