CCOC(=O)c1nc(I)c2c(-c3ccccc3)noc2c1O
SMILES: CCOC(=O)c1nc(I)c2c(-c3ccccc3)noc2c1O

Molecular Processing

Molecular formula
C15H11IN2O4
Molecular weight
410.17
Exact mass
409.9764
XLogP
3.38
TPSA
85.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
87.58

Supplementary Information

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