Molecule

ID:82501

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₄S₃
Molecular Mass
309.4254
Exact Mass
309.01632097
Charge
0
InChI
InChI=1S/C10H15NO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,11H2,1-4H3
InChIKey
MAKNYIHVISBSOW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(c(c1N)S(=O)(=O)C(C)C)SC
Isomeric Smiles
S(=O)(=O)(c1c(sc(c1N)C(=O)OC)SC)C(C)C
Calculated Properties
JChem
Acid pKa
18.244528
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4229612
LogD (pH = 7.4)
2.4229612
Log P
2.4229612
Molar Refractivity
74.5974
Polarizability
29.273531
Polar Surface Area
86.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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