SMILES:
C#CCCC(C(=O)N1C(=O)OCC1c1ccccc1)C(O)c1ccccc1Molecular Processing
Molecular formula
C22H21NO4
Molecular weight
363.41
Exact mass
363.1471
XLogP
3.47
TPSA
66.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
100.34
Supplementary Information
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