SMILES:
O=C1CCC(=O)c2ccc(I)cc2N1Molecular Processing
Molecular formula
C10H8INO2
Molecular weight
301.08
Exact mass
300.96
XLogP
2.21
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
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
0.2
Molar refractivity
61.35
Supplementary Information
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