SMILES:
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3.IMolecular Processing
Molecular formula
C21H26INO4
Molecular weight
483.35
Exact mass
483.0907
XLogP
4.09
TPSA
40.16
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
116.28
Supplementary Information
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