SMILES:
CC(c1ccccc1)C(c1ncc(-c2ccc(I)cc2)[nH]1)N1C(=O)NC(CC(=O)OC(C)(C)C)C1=OMolecular Processing
Molecular formula
C27H29IN4O4
Molecular weight
600.46
Exact mass
600.1234
XLogP
5.18
TPSA
104.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
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
0.333
Molar refractivity
143.97
Supplementary Information
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