SMILES:
CCCCC1C=CC(=O)C1=CC#CCCCC(=O)OCMolecular Processing
Molecular formula
C17H22O3
Molecular weight
274.36
Exact mass
274.1569
XLogP
3.2
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
78.89
Supplementary Information
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