Nom: 9-benzyl-11-iodo-1,4-dioxa-9-aza-dispiro[4.2.4.2]tetradecane
SMILES:
IC1CN(Cc2ccccc2)C2(CCC3(CC2)OCCO3)C1Molecular Processing
Molecular formula
C18H24INO2
Molecular weight
413.3
Exact mass
413.0852
XLogP
3.75
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
95.11
Supplementary Information
Récupération des détails…
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