SMILES:
CCOC(=O)C1=Cc2cc(I)ccc2NC1C(F)(F)FMolecular Processing
Molecular formula
C13H11F3INO2
Molecular weight
397.13
Exact mass
396.9787
XLogP
3.59
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
77.23
Supplementary Information
Details werden geladen…
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