Molecule

ID:25775

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂S
Molecular Mass
266.39898
Exact Mass
266.13405094
Charge
0
InChI
InChI=1S/C15H22O2S/c16-15(17)14-11-12-9-7-5-3-1-2-4-6-8-10-13(12)18-14/h11H,1-10H2,(H,16,17)
InChIKey
LNSQBMPERJWUBR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc2c(c1)CCCCCCCCCC2
Isomeric Smiles
c1(sc2c(c1)CCCCCCCCCC2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3695848
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6791866
LogD (pH = 7.4)
2.3854113
Log P
5.795816
Molar Refractivity
75.2304
Polarizability
28.851503
Polar Surface Area
37.3
Rotatable Bonds
1
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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