SMILES:
C=CCC1(O)CCCC1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C16H20O3
Molecular weight
260.33
Exact mass
260.1412
XLogP
2.84
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
73.34
Supplementary Information
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