Molecule

ID:45313

General Information
Structure
Molecular Formula
C₁₅H₂₂O₃S
Molecular Mass
282.39838
Exact Mass
282.12896556
Charge
0
InChI
InChI=1S/C15H22O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3
InChIKey
UKXWRHNPGQFSDD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCCC1CCCCC1
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCCC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.526433
LogD (pH = 7.4)
4.526433
Log P
4.526433
Molar Refractivity
76.627
Polarizability
30.91762
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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