SMILES:
C=CCC1(O)CC2CC1C1CCCC21Molecular Processing
Molecular formula
C13H20O
Molecular weight
192.3
Exact mass
192.1514
XLogP
2.75
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
56.81
Supplementary Information
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