Molecule

ID:65253

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO₈S₂
Molecular Mass
347.40564
Exact Mass
347.07085864
Charge
0
InChI
InChI=1S/C10H21NO8S2/c1-10(2,3)19-9(12)11-8(6-17-20(4,13)14)7-18-21(5,15)16/h8H,6-7H2,1-5H3,(H,11,12)
InChIKey
OQZLCYFJSRPMBB-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(COS(=O)(=O)C)COS(=O)(=O)C
Isomeric Smiles
N(C(COS(=O)(=O)C)COS(=O)(=O)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.983609
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.58147
LogD (pH = 7.4)
-0.58147097
Log P
-0.58147
Molar Refractivity
72.5516
Polarizability
31.124222
Polar Surface Area
125.07
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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