Название: Intermediate 74c
SMILES:
CCOC(=O)c1nn(CCOC2CCCCO2)cc1IMolecular Processing
Molecular formula
C13H19IN2O4
Molecular weight
394.21
Exact mass
394.039
XLogP
2.21
TPSA
62.58
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
80.44
Supplementary Information
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