SMILES:
CCCCCC1OCc2cc(C(=O)O)ccc2O1Molecular Processing
Molecular formula
C14H18O4
Molecular weight
250.29
Exact mass
250.1205
XLogP
3.2
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.75
Supplementary Information
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