SMILES:
COc1cc(C)c(CCCC(=O)O)c(O)c1OCMolecular Processing
Molecular formula
C13H18O5
Molecular weight
254.28
Exact mass
254.1154
XLogP
2.13
TPSA
75.99
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
66.52
Supplementary Information
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