이름: product
SMILES:
CCOC(=O)N1CCc2cc(I)c(OCCC(=O)O)cc2CC1Molecular Processing
Molecular formula
C16H20INO5
Molecular weight
433.24
Exact mass
433.0386
XLogP
2.7
TPSA
76.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
92.91
Supplementary Information
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