SMILES:
CC(C#CC1=C(C)C(=O)C(C(=O)COc2ccccc2)C1(C)C)=CC=OMolecular Processing
Molecular formula
C22H22O4
Molecular weight
350.41
Exact mass
350.1518
XLogP
3.32
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
99.52
Supplementary Information
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