SMILES:
O=C(NCCO)c1ccncc1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C14H13FIN3O2
Molecular weight
401.18
Exact mass
401.0037
XLogP
2.29
TPSA
74.25
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
86.06
Supplementary Information
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