Molecule

ID:135702

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O₆S₂
Molecular Mass
302.36832
Exact Mass
302.06062831
Charge
0
InChI
InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)
InChIKey
IHPYMWDTONKSCO-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)CCN1CCN(CC1)CCS(=O)(=O)O
Isomeric Smiles
C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-1.7776884
H Acceptors
8
H Donor
2
LogD (pH = 5.5)
-5.7796354
LogD (pH = 7.4)
-6.0082097
Log P
-4.8887243
Molar Refractivity
65.4108
Polarizability
27.752228
Polar Surface Area
115.22
Rotatable Bonds
6
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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