O=c1[nH]c2cc(Cl)cc(I)c2[nH]c1=O
名称: 5-Iodo-7-chloro-1,4-dihydro-2,3-quinoxalinedione
SMILES: O=c1[nH]c2cc(Cl)cc(I)c2[nH]c1=O

Molecular Processing

Molecular formula
C8H4ClIN2O2
Molecular weight
322.49
Exact mass
321.9006
XLogP
1.47
TPSA
65.72
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
62.92

Supplementary Information

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