Molecule

ID:135362

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈S
Molecular Mass
147.28617484
Exact Mass
147.11627641
Charge
0
InChI
InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3/i8+1
InChIKey
KZCOBXFFBQJQHH-VJJZLTLGSA-N
Canonic Smiles
CCCCCCC[13CH2]S
Isomeric Smiles
CCCCCCC[13CH2]S
Calculated Properties
JChem
Acid pKa
10.200824
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.834958
LogD (pH = 7.4)
3.834329
Log P
3.834966
Molar Refractivity
46.5675
Polarizability
18.55462
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
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