Molecule

ID:111888

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀O₂S
Molecular Mass
274.4625
Exact Mass
274.1966512
Charge
0
InChI
InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-15(16)14-18/h18H,2-14H2,1H3
InChIKey
BANFORNDDZWGFX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCOC(=O)CS
Isomeric Smiles
CCCCCCCCCCCCCOC(=O)CS
Calculated Properties
JChem
Acid pKa
9.32802
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.474071
LogD (pH = 7.4)
5.4694037
Log P
5.4741306
Molar Refractivity
80.5246
Polarizability
32.18329
Polar Surface Area
26.3
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation