Molecule

ID:121069

General Information
Structure
Molecular Formula
C₉H₁₉N₃O₃S
Molecular Mass
249.33046
Exact Mass
249.11471248
Charge
0
InChI
InChI=1S/C9H19N3O3S/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11/h10H,1-9H2
InChIKey
SWIILVWKJLSFKZ-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(N1CCCNCC1)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)N1CCNCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-4.912358
LogD (pH = 7.4)
-3.6165292
Log P
-1.7910687
Molar Refractivity
61.1237
Polarizability
24.973068
Polar Surface Area
61.88
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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