SMILES:
C#CCCC[C@@H](C=O)CC(=O)c1ccccc1Molecular Processing
Molecular formula
C15H16O2
Molecular weight
228.29
Exact mass
228.115
XLogP
2.88
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.63
Supplementary Information
Details werden geladen…
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