SMILES:
CCOC(=O)C1=Cc2cc(Cl)cc(I)c2OC1C(F)(F)FMolecular Processing
Molecular formula
C13H9ClF3IO3
Molecular weight
432.56
Exact mass
431.9237
XLogP
4.21
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
79.25
Supplementary Information
Details werden geladen…
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