SMILES:
CC12CC(c3ccc(CCI)cc3)C3c4ccc(O)cc4CCC3C1CCC2OMolecular Processing
Molecular formula
C26H31IO2
Molecular weight
502.44
Exact mass
502.1369
XLogP
5.98
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
125.89
Supplementary Information
Récupération des détails…
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