Name: compound 19
SMILES:
CCCCCc1ccc(O)c(C(=O)O)c1Molecular Processing
Molecular formula
C12H16O3
Molecular weight
208.26
Exact mass
208.1099
XLogP
2.82
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.3
Supplementary Information
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