SMILES:
COc1cc(C)c(OCCCC(C)(C)C(=O)O)cc1CMolecular Processing
Molecular formula
C16H24O4
Molecular weight
280.36
Exact mass
280.1675
XLogP
3.58
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
78.61
Supplementary Information
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