Molecule

ID:129778

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₂S
Molecular Mass
288.48908
Exact Mass
288.21230126
Charge
0
InChI
InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey
IPBCWPPBAWQYOO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCSCC(=O)O
Isomeric Smiles
O=C(O)CSCCCCCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
4.5831404
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0905914
LogD (pH = 7.4)
3.3154533
Log P
6.0560365
Molar Refractivity
85.0567
Polarizability
33.774998
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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