Name: ketone
SMILES:
COc1ccc2c(c1OC)CC(C1CCCCC1)CC2=OMolecular Processing
Molecular formula
C18H24O3
Molecular weight
288.39
Exact mass
288.1725
XLogP
4.03
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
82.26
Supplementary Information
Details werden geladen…
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