Name: 4-chloro-5-methoxymethoxy-3-hydroxy-7-iodo-2-(1-methyl-1-phenylethyl)isoindolinone
SMILES:
COCOc1cc(I)c2c(c1Cl)C(O)N(C(C)(C)c1ccccc1)C2=OMolecular Processing
Molecular formula
C19H19ClINO4
Molecular weight
487.72
Exact mass
487.0047
XLogP
4.31
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
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
0.316
Molar refractivity
107.27
Supplementary Information
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