SMILES:
CCOC(=O)C(C#N)=Cc1cc(OC)c(OC)c2c1C=CCO2Molecular Processing
Molecular formula
C17H17NO5
Molecular weight
315.33
Exact mass
315.1107
XLogP
2.58
TPSA
77.78
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
84.3
Supplementary Information
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