SMILES:
CCOC(=O)c1nc(I)c2c(-c3ccc(OC)cc3)noc2c1OMolecular Processing
Molecular formula
C16H13IN2O5
Molecular weight
440.19
Exact mass
439.9869
XLogP
3.39
TPSA
94.68
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
94.13
Supplementary Information
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