COCOc1c(OC)cc(I)c2c1C(O)N(C(C)(C)c1ccccc1)C2=O
名称: 4-methoxymethoxy-5-methoxy-3-hydroxy-7-iodo-2-(1-methyl-1-phenylethyl)isoindolinone
SMILES: COCOc1c(OC)cc(I)c2c1C(O)N(C(C)(C)c1ccccc1)C2=O

Molecular Processing

Molecular formula
C20H22INO5
Molecular weight
483.3
Exact mass
483.0543
XLogP
3.66
TPSA
68.23
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
108.81

Supplementary Information

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