SMILES:
CC(C)(C)OC(=O)NCCOc1cc(C#N)ccc1IMolecular Processing
Molecular formula
C14H17IN2O3
Molecular weight
388.2
Exact mass
388.0284
XLogP
3.07
TPSA
71.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
83.61
Supplementary Information
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