SMILES:
Cc1cc(CN)cc(I)c1NMolecular Processing
Molecular formula
C8H11IN2
Molecular weight
262.09
Exact mass
261.9967
XLogP
1.64
TPSA
52.04
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
56.2
Supplementary Information
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