Molecule

ID:82506

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClO₄S₃
Molecular Mass
328.85582
Exact Mass
327.96644958
Charge
0
InChI
InChI=1S/C10H13ClO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,1-4H3
InChIKey
OONHSMRZURYOPG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(c(c1Cl)S(=O)(=O)C(C)C)SC
Isomeric Smiles
S(=O)(=O)(c1c(sc(c1Cl)C(=O)OC)SC)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.205932
LogD (pH = 7.4)
3.205932
Log P
3.205932
Molar Refractivity
74.7018
Polarizability
30.124277
Polar Surface Area
60.44
Rotatable Bonds
5
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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