名称: 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]isoindoline-1,3-dione
SMILES:
O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C16H9Cl2NO3
Molecular weight
334.16
Exact mass
332.9959
XLogP
3.47
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
82.6
Supplementary Information
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