Molecule

ID:11359

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅NO₅S
Molecular Mass
295.3956
Exact Mass
295.14534391
Charge
0
InChI
InChI=1S/C12H23NO.H2O4S/c14-11-5-4-9-13-10-8-12-6-2-1-3-7-12;1-5(2,3)4/h6,13-14H,1-5,7-11H2;(H2,1,2,3,4)
InChIKey
IBHJLRZIELQVTB-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.OCCCCNCCC1=CCCCC1
Isomeric Smiles
C1(=CCCCC1)CCNCCCCO.OS(=O)(=O)O
Calculated Properties
JChem
Acid pKa
15.972579
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4621693
LogD (pH = 7.4)
-1.0123522
Log P
1.7696606
Molar Refractivity
61.7687
Polarizability
24.023426
Polar Surface Area
32.26
Rotatable Bonds
7
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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