이름: 4-phenoxy-3-hydroxy-7-iodo-2-(1-methyl-1-phenylethyl)isoindolinone
SMILES:
CC(C)(c1ccccc1)N1C(=O)c2c(I)ccc(Oc3ccccc3)c2C1OMolecular Processing
Molecular formula
C23H20INO3
Molecular weight
485.32
Exact mass
485.0488
XLogP
5.47
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
116.27
Supplementary Information
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