SMILES:
CC(c1ccccc1)C(c1ncc(-c2ccc(I)cc2)[nH]1)N1C(=O)NC(CC(=O)O)C1=OMolecular Processing
Molecular formula
C23H21IN4O4
Molecular weight
544.35
Exact mass
544.0608
XLogP
3.92
TPSA
115.39
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
125.76
Supplementary Information
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