SMILES:
CC(C)(O)CCCOC(=O)C1CC2C=CC1C2Molecular Processing
Molecular formula
C14H22O3
Molecular weight
238.33
Exact mass
238.1569
XLogP
2.29
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
65.33
Supplementary Information
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