SMILES:
CC#CC(CC(=O)O)c1ccc(OCC2=CC3(CCCC3)CCC2)cc1Molecular Processing
Molecular formula
C23H28O3
Molecular weight
352.47
Exact mass
352.2038
XLogP
5.32
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
103.22
Supplementary Information
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