SMILES:
COC(=O)CC(c1ccccc1)C(C#N)C(=O)OCMolecular Processing
Molecular formula
C14H15NO4
Molecular weight
261.28
Exact mass
261.1001
XLogP
1.65
TPSA
76.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
66.94
Supplementary Information
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