SMILES:
CCOC(=O)C(CCC#N)(Cc1cccc2ccccc12)C(=O)OCCMolecular Processing
Molecular formula
C21H23NO4
Molecular weight
353.42
Exact mass
353.1627
XLogP
3.8
TPSA
76.39
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
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
0.381
Molar refractivity
98.2
Supplementary Information
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