SMILES:
CCCCc1ccc(CN2Cc3cccc(I)c3C2=O)cc1Molecular Processing
Molecular formula
C19H20INO
Molecular weight
405.28
Exact mass
405.059
XLogP
4.79
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
97.79
Supplementary Information
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