Name: (4-Iodophenyl)(isocyano)methyl 4-methylphenyl sulfone
SMILES:
[C-]#[N+]C(c1ccc(I)cc1)S(=O)(=O)c1ccc(C)cc1Molecular Processing
Molecular formula
C15H12INO2S
Molecular weight
397.24
Exact mass
396.9633
XLogP
3.99
TPSA
38.5
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
86.87
Supplementary Information
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