O=c1[nH]c(=O)c2cc(I)ccc2[nH]1
Название: 6-iodoquinazolinedione
SMILES: O=c1[nH]c(=O)c2cc(I)ccc2[nH]1

Molecular Processing

Molecular formula
C8H5IN2O2
Molecular weight
288.04
Exact mass
287.9396
XLogP
0.82
TPSA
65.72
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
57.91

Supplementary Information

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