이름: 7-iodo-4-methylisoindolinone
SMILES:
Cc1ccc(I)c2c1CNC2=OMolecular Processing
Molecular formula
C9H8INO
Molecular weight
273.07
Exact mass
272.9651
XLogP
1.84
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
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
0.222
Molar refractivity
55.07
Supplementary Information
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