SMILES:
CNC(=O)c1cc(I)c(C)n(-c2cccc(C(F)(F)F)c2)c1=OMolecular Processing
Molecular formula
C15H12F3IN2O2
Molecular weight
436.17
Exact mass
435.9896
XLogP
3.13
TPSA
51.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
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
87.89
Supplementary Information
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