SMILES:
CC(=O)O[C@H]1Cc2cc(O)c(I)cc2[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12Molecular Processing
Molecular formula
C20H23IO4
Molecular weight
454.3
Exact mass
454.0641
XLogP
3.96
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
101.38
Supplementary Information
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