SMILES:
CCOC(=O)C1CCN(c2ccc(I)c(Cc3ccccc3)n2)CC1Molecular Processing
Molecular formula
C20H23IN2O2
Molecular weight
450.32
Exact mass
450.0804
XLogP
4.06
TPSA
42.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
107.77
Supplementary Information
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