SMILES:
N#Cc1ccc(I)c(O)c1Molecular Processing
Molecular formula
C7H4INO
Molecular weight
245.02
Exact mass
244.9338
XLogP
1.87
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
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
45.54
Supplementary Information
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