Name: 2-(1-Ethoxyethyl)oxymethylphenyl 5-methylisoxazol-3-yl ketone
SMILES:
CCOC(C)OCc1ccccc1C(=O)c1cc(C)on1Molecular Processing
Molecular formula
C16H19NO4
Molecular weight
289.33
Exact mass
289.1314
XLogP
3.11
TPSA
61.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
76.99
Supplementary Information
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