SMILES:
CCN(CC)CCNC(=O)c1cc(I)c(NC(=O)c2ccc3c(c2)OCO3)cc1OCMolecular Processing
Molecular formula
C22H26IN3O5
Molecular weight
539.37
Exact mass
539.0917
XLogP
3.35
TPSA
89.13
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
126.35
Supplementary Information
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