SMILES:
CCC1=C(C)CCC(CC=O)C1Molecular Processing
Molecular formula
C11H18O
Molecular weight
166.26
Exact mass
166.1358
XLogP
3.1
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
51.01
Supplementary Information
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