SMILES:
CCc1cn(C2CC(I)C(CO)O2)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C11H15IN2O4
Molecular weight
366.16
Exact mass
366.0077
XLogP
0.18
TPSA
84.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
74.12
Supplementary Information
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