SMILES:
Cc1cc(C=O)ccc1OC1CCCCO1Molecular Processing
Molecular formula
C13H16O3
Molecular weight
220.27
Exact mass
220.1099
XLogP
2.71
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
60.79
Supplementary Information
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