SMILES:
C#Cc1cccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c1Molecular Processing
Molecular formula
C21H23NO4
Molecular weight
353.42
Exact mass
353.1627
XLogP
3.03
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
98.92
Supplementary Information
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