SMILES:
CCOC(=O)C(CC#N)(Cc1cccc2ccccc12)C(=O)OCCMolecular Processing
Molecular formula
C20H21NO4
Molecular weight
339.39
Exact mass
339.1471
XLogP
3.41
TPSA
76.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
93.58
Supplementary Information
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