Molecule

ID:30661

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N₃O₃S
Molecular Mass
235.30388
Exact Mass
235.09906242
Charge
0
InChI
InChI=1S/C8H17N3O3S/c12-15(13,10-3-1-9-2-4-10)11-5-7-14-8-6-11/h9H,1-8H2
InChIKey
GUOAAJLZOUGPKJ-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(N1CCOCC1)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)N1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.5098279
LogD (pH = 7.4)
-2.0485263
Log P
-1.8510284
Molar Refractivity
56.2583
Polarizability
23.146286
Polar Surface Area
61.88
Rotatable Bonds
0
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
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References
Bioactivity
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