SMILES:
C=COCCC1(O)C2CC3CC(C2)CC1C3Molecular Processing
Molecular formula
C14H22O2
Molecular weight
222.33
Exact mass
222.162
XLogP
2.72
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
62.76
Supplementary Information
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