SMILES:
O=C(NCCCO)c1cc(Br)ncc1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C15H14BrFIN3O2
Molecular weight
494.1
Exact mass
492.9298
XLogP
3.44
TPSA
74.25
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
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
0.2
Molar refractivity
98.37
Supplementary Information
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