名称: 4-chloro-5-methoxy-3-hydroxy-7-iodo-2-(1-methyl-1-phenylethyl)isoindolinone
SMILES:
COc1cc(I)c2c(c1Cl)C(O)N(C(C)(C)c1ccccc1)C2=OMolecular Processing
Molecular formula
C18H17ClINO3
Molecular weight
457.7
Exact mass
456.9942
XLogP
4.34
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
101.32
Supplementary Information
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