SMILES:
COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1IMolecular Processing
Molecular formula
C14H14INO5
Molecular weight
403.17
Exact mass
402.9917
XLogP
2.43
TPSA
73.86
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
83.68
Supplementary Information
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