Name: 2-(3,4-bis{[2-(methyloxy)ethyl]oxy}phenyl)-3-oxobutanenitrile
SMILES:
COCCOc1ccc(C(C#N)C(C)=O)cc1OCCOCMolecular Processing
Molecular formula
C16H21NO5
Molecular weight
307.35
Exact mass
307.142
XLogP
1.93
TPSA
77.78
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
80.22
Supplementary Information
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