Molecule

ID:135610

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₂S
Molecular Mass
288.48908
Exact Mass
288.21230126
Charge
0
InChI
InChI=1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)
InChIKey
INOAASCWQMFJQA-UHFFFAOYSA-N
Canonic Smiles
SCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
C(CCCCCCCC(=O)O)CCCCCCCS
Calculated Properties
JChem
Acid pKa
4.9520173
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.41546
LogD (pH = 7.4)
3.655696
Log P
6.0712733
Molar Refractivity
85.0409
Polarizability
33.766026
Polar Surface Area
37.3
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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