الاسم: 2-(4-chlorobut-2-yn-1-yl)-1H-isoindole-1,3(2H)-dione
SMILES:
O=C1c2ccccc2C(=O)N1CC#CCClMolecular Processing
Molecular formula
C12H8ClNO2
Molecular weight
233.65
Exact mass
233.0244
XLogP
1.52
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
60.31
Supplementary Information
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