SMILES:
C#CC(Nc1ccc(I)cc1)c1ccccc1Molecular Processing
Molecular formula
C15H12IN
Molecular weight
333.17
Exact mass
333.0014
XLogP
4.08
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
80.8
Supplementary Information
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