SMILES:
C=CCC(C(=O)N1C(=O)OCC1Cc1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C21H21NO3
Molecular weight
335.4
Exact mass
335.1521
XLogP
3.94
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
96.13
Supplementary Information
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