Name: 1,1-(ethylenedioxy)-2-methyl-3-(phenylsulfonyl)-cyclohexane
SMILES:
CC1C(S(=O)(=O)c2ccccc2)CCCC12OCCO2Molecular Processing
Molecular formula
C15H20O4S
Molecular weight
296.39
Exact mass
296.1082
XLogP
2.39
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
75.07
Supplementary Information
Details werden geladen…
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