O=C=Nc1ccc(I)cc1
Name: 1-iodo-4-isocyanato-benzene
SMILES: O=C=Nc1ccc(I)cc1

Molecular Processing

Molecular formula
C7H4INO
Molecular weight
245.02
Exact mass
244.9338
XLogP
2.26
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
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
Molar refractivity
46.94

Supplementary Information

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