O=C1NCc2c(Cl)c(O)cc(I)c21
Name: 4-chloro-5-hydroxy-7-iodoisoindolinone
SMILES: O=C1NCc2c(Cl)c(O)cc(I)c21

Molecular Processing

Molecular formula
C8H5ClINO2
Molecular weight
309.49
Exact mass
308.9054
XLogP
1.89
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
57

Supplementary Information

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