Molecule

ID:65383

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNS
Molecular Mass
153.67348
Exact Mass
153.03789807
Charge
0
InChI
InChI=1S/C5H11NS.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H
InChIKey
ZLVNOTVFTHJKBQ-UHFFFAOYSA-N
Canonic Smiles
C1CNCCSC1.Cl
Isomeric Smiles
S1CCNCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.8338234
LogD (pH = 7.4)
-2.1166131
Log P
0.3841475
Molar Refractivity
34.7649
Polarizability
13.803723
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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