SMILES:
O=C(O)c1cc(-c2ccccc2)ncc1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C18H12FIN2O2
Molecular weight
434.21
Exact mass
433.9928
XLogP
4.93
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
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
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
99.03
Supplementary Information
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