Molecule

ID:123279

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆ClNS
Molecular Mass
169.71594
Exact Mass
169.0691982
Charge
0
InChI
InChI=1S/C6H15NS.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H
InChIKey
QAXLTZBBDSDRPW-UHFFFAOYSA-N
Canonic Smiles
SCCN(CC)CC.Cl
Isomeric Smiles
N(CCS)(CC)CC.Cl
Calculated Properties
JChem
Acid pKa
10.308166
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.062773
LogD (pH = 7.4)
-0.74087995
Log P
0.9632576
Molar Refractivity
41.9602
Polarizability
16.381025
Polar Surface Area
3.24
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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