SMILES:
N#CCNC(=O)c1ccc(-c2nc(I)ncc2Br)cc1Molecular Processing
Molecular formula
C13H8BrIN4O
Molecular weight
443.04
Exact mass
441.8926
XLogP
2.76
TPSA
78.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
85.83
Supplementary Information
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