SMILES:
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)C=CCN2C.[I-]Molecular Processing
Molecular formula
C24H28IN4O4-
Molecular weight
563.42
Exact mass
563.1161
XLogP
-0.09
TPSA
99.77
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
-1
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.292
Molar refractivity
124.21
Supplementary Information
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