Nom: 30
SMILES:
CC(C)COC1=CC(=O)C(Cc2cccc(CCI)c2)C1Molecular Processing
Molecular formula
C18H23IO2
Molecular weight
398.28
Exact mass
398.0743
XLogP
4.35
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.72
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→