Molecule

ID:76730

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀O₂S
Molecular Mass
274.4625
Exact Mass
274.1966512
Charge
0
InChI
InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey
VKLOPQHLJNFYKK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCSCCC(=O)O
Isomeric Smiles
O=C(CCSCCCCCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
4.737601
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7805786
LogD (pH = 7.4)
3.0034308
Log P
5.611468
Molar Refractivity
80.4557
Polarizability
31.92848
Polar Surface Area
37.3
Rotatable Bonds
14
Lipinski's Rule of Five
false
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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