Molecule

ID:53587

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂O₈S₂
Molecular Mass
362.42028
Exact Mass
362.08175767
Charge
0
InChI
InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)
InChIKey
LVQFQZZGTZFUNF-UHFFFAOYSA-N
Canonic Smiles
OC(CS(=O)(=O)O)CN1CCN(CC1)CC(CS(=O)(=O)O)O
Isomeric Smiles
S(=O)(=O)(CC(CN1CCN(CC(CS(=O)(=O)O)O)CC1)O)O
Calculated Properties
JChem
Acid pKa
-1.244722
H Acceptors
10
H Donor
4
LogD (pH = 5.5)
-7.036612
LogD (pH = 7.4)
-7.1584487
Log P
-6.1491137
Molar Refractivity
77.3358
Polarizability
32.31129
Polar Surface Area
155.68
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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