이름: 7-iodoisoindolin-1-one
SMILES:
O=C1NCc2cccc(I)c21Molecular Processing
Molecular formula
C8H6INO
Molecular weight
259.05
Exact mass
258.9494
XLogP
1.53
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.33
Supplementary Information
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