COc1ccc(N)cc1I
Name: 3-iodo-4-methoxy-aniline
SMILES: COc1ccc(N)cc1I

Molecular Processing

Molecular formula
C7H8INO
Molecular weight
249.05
Exact mass
248.9651
XLogP
1.88
TPSA
35.25
H-bond donors
1
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
0.143
Molar refractivity
50.12

Supplementary Information

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