SMILES:
COc1ccc(COC(=O)C(O)C(C)C)cc1Molecular Processing
Molecular formula
C13H18O4
Molecular weight
238.28
Exact mass
238.1205
XLogP
1.76
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
63.63
Supplementary Information
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