CC(=O)SC1CCC2(CCC(CCc3ccoc3)CC2)CC1
الاسم: 9-acetylthio-3-(2-(3-furyl)ethyl)-spiro[5.5]undecane
SMILES: CC(=O)SC1CCC2(CCC(CCc3ccoc3)CC2)CC1

Molecular Processing

Molecular formula
C19H28O2S
Molecular weight
320.5
Exact mass
320.181
XLogP
5.61
TPSA
30.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
91.95

Supplementary Information

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