SMILES:
CC(C(=O)O)c1ccc(C=C2CCCC2=O)cc1Molecular Processing
Molecular formula
C15H16O3
Molecular weight
244.29
Exact mass
244.1099
XLogP
3.01
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
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
0.333
Molar refractivity
69.33
Supplementary Information
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