Name: 3-hydroxy-7-bromo-2-(1-methyl-1-phenylethyl)isoindolinone
SMILES:
CC(C)(c1ccccc1)N1C(=O)c2c(Br)cccc2C1OMolecular Processing
Molecular formula
C17H16BrNO2
Molecular weight
346.22
Exact mass
345.0364
XLogP
3.83
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
84.74
Supplementary Information
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Involved in 2 reactions→