SMILES:
COc1ccc2c(C#N)cccc2c1IMolecular Processing
Molecular formula
C12H8INO
Molecular weight
309.11
Exact mass
308.9651
XLogP
3.32
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
67.93
Supplementary Information
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