Molecule

ID:38871

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₆S
Molecular Mass
293.33666
Exact Mass
293.09330833
Charge
0
InChI
InChI=1S/C11H19NO6S/c1-11(2,3)18-10(17)12-7(9(15)16)6-19-5-4-8(13)14/h7H,4-6H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKey
INXYKJRLTVBOFZ-ZETCQYMHSA-N
Canonic Smiles
OC(=O)[C@@H](NC(=O)OC(C)(C)C)CSCCC(=O)O
Isomeric Smiles
[C@H](CSCCC(=O)O)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.4538505
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.437681
LogD (pH = 7.4)
-5.536329
Log P
0.9601653
Molar Refractivity
68.5808
Polarizability
27.187744
Polar Surface Area
112.93
Rotatable Bonds
9
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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