Molecule

ID:64900

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNS
Molecular Mass
153.67348
Exact Mass
153.03789807
Charge
0
InChI
InChI=1S/C5H11NS.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H
InChIKey
CAUGAHCEDPFMJU-UHFFFAOYSA-N
Canonic Smiles
NC1CCSCC1.Cl
Isomeric Smiles
C1SCCC(C1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.8001432
LogD (pH = 7.4)
-2.4916692
Log P
0.22720137
Molar Refractivity
34.3719
Polarizability
13.803318
Polar Surface Area
26.02
Rotatable Bonds
0
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
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References
Bioactivity
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