Molecule

ID:55601

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClNS
Molecular Mass
163.6683
Exact Mass
163.02224801
Charge
0
InChI
InChI=1S/C6H9NS.ClH/c1-7-4-6-2-3-8-5-6;/h2-3,5,7H,4H2,1H3;1H
InChIKey
IPUQNHJAEFPRMV-UHFFFAOYSA-N
Canonic Smiles
CNCc1cscc1.Cl
Isomeric Smiles
c1(cscc1)CNC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8259667
LogD (pH = 7.4)
-0.5828826
Log P
1.3120366
Molar Refractivity
36.4118
Polarizability
14.1804495
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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