Molecule

ID:102506

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O₄S
Molecular Mass
238.30452
Exact Mass
238.09872807
Charge
0
InChI
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)CCS(=O)(=O)O
Isomeric Smiles
OCCN1CCN(CC1)CCS(=O)(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.38
LogD (pH = 5.5)
-3.12
Log P
-3.11
Rotatable Bonds
5
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-1.34
Polar Surface Area
81.08
Polarizability
24.05
Molar Refractivity
57.02
LOG S
1.51
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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