Molecule

ID:83513

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₄S
Molecular Mass
296.3819
Exact Mass
296.10823012
Charge
0
InChI
InChI=1S/C15H20O4S/c1-10-3-5-12(6-4-10)20(16,17)19-15-9-11-7-13(15)14(8-11)18-2/h3-6,11,13-15H,7-9H2,1-2H3
InChIKey
YEYBRTMMOJKDHE-UHFFFAOYSA-N
Canonic Smiles
COC1CC2CC1C(C2)OS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OC1C2C(OC)CC(C1)C2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8864672
LogD (pH = 7.4)
2.8864672
Log P
2.8864672
Molar Refractivity
76.1571
Polarizability
30.903505
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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