SMILES:
COCCCCC(OC(C)=O)C1CC2C=CC1C2Molecular Processing
Molecular formula
C15H24O3
Molecular weight
252.35
Exact mass
252.1725
XLogP
2.95
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
70.13
Supplementary Information
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