Molecule

ID:127658

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
OCCN1CC[NH+](CC1)CCS(=O)(=O)[O-]
Isomeric Smiles
OCCN1CC[NH+](CCS(=O)(=O)[O-])CC1
Calculated Properties
JChem
Acid pKa
-1.3356507
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.1127214
LogD (pH = 7.4)
-3.2495832
Log P
-3.111727
Molar Refractivity
66.912
Polarizability
22.968948
Polar Surface Area
85.11
Rotatable Bonds
5
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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