Name: 2-(3-iodo-phenylamino)-propionic acid
SMILES:
CC(Nc1cccc(I)c1)C(=O)OMolecular Processing
Molecular formula
C9H10INO2
Molecular weight
291.09
Exact mass
290.9756
XLogP
2.18
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
59.88
Supplementary Information
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