Name: diethyl 2-({4-[(acetyloxy)methyl]-2-iodoanilino}methylene)malonate
SMILES:
CCOC(=O)C(=CNc1ccc(COC(C)=O)cc1I)C(=O)OCCMolecular Processing
Molecular formula
C17H20INO6
Molecular weight
461.25
Exact mass
461.0335
XLogP
2.78
TPSA
90.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
99.6
Supplementary Information
Details werden geladen…
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