Molecule

ID:108392

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈S
Molecular Mass
146.29352
Exact Mass
146.11292158
Charge
0
InChI
InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey
KZCOBXFFBQJQHH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCS
Isomeric Smiles
CCCCCCCCS
Calculated Properties
JChem
LogD (pH = 7.4)
3.83
LogD (pH = 5.5)
3.83
Log P
3.83
Rotatable Bonds
6
H Donor
1
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
10.20
Polar Surface Area
0.00
Polarizability
19.57
Molar Refractivity
46.57
LOG S
-3.60
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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