Molecule

ID:55151

General Information
Structure
Molecular Formula
C₆H₁₄ClNS
Molecular Mass
167.70006
Exact Mass
167.05354813
Charge
0
InChI
InChI=1S/C6H13NS.ClH/c1-7-6-2-4-8-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKey
JMIPDXMPOMPTJG-UHFFFAOYSA-N
Canonic Smiles
CNC1CCSCC1.Cl
Isomeric Smiles
C1SCCC(C1)NC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5727122
LogD (pH = 7.4)
-2.1413143
Log P
0.65978175
Molar Refractivity
39.1465
Polarizability
15.6485195
Polar Surface Area
12.03
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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