Molecule

ID:121585

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀KNO₂S₃
Molecular Mass
263.4424
Exact Mass
262.95107325
Charge
0
InChI
InChI=1S/C6H11NO2S3.K/c1-7(6(10)11)5-2-3-12(8,9)4-5;/h5H,2-4H2,1H3,(H,10,11);/q;+1/p-1
InChIKey
REMALOBYKCHEPV-UHFFFAOYSA-M
Canonic Smiles
[S-]C(=S)N(C1CCS(=O)(=O)C1)C.[K+]
Isomeric Smiles
S1(=O)(=O)CC(N(C(=S)[S-])C)CC1.[K+]
Calculated Properties
JChem
Acid pKa
1.9971354
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0672978
LogD (pH = 7.4)
-1.0690314
Log P
0.07392844
Molar Refractivity
56.8117
Polarizability
23.17186
Polar Surface Area
37.38
Rotatable Bonds
1
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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