SMILES:
Cn1nc(I)c2cc(Br)ccc21Molecular Processing
Molecular formula
C8H6BrIN2
Molecular weight
336.96
Exact mass
335.8759
XLogP
2.94
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
61.13
Supplementary Information
Details werden geladen…
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