Molecule

ID:44506

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O₄S
Molecular Mass
273.3088
Exact Mass
273.07832698
Charge
0
InChI
InChI=1S/C10H15N3O4S/c1-10(2,3)17-9(14)13-18(15,16)12-8-5-4-6-11-7-8/h4-7,12H,1-3H3,(H,13,14)
InChIKey
SDUFRIROQZPSKB-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NS(=O)(=O)Nc1cccnc1
Isomeric Smiles
S(=O)(=O)(NC(=O)OC(C)(C)C)Nc1cnccc1
Calculated Properties
JChem
Acid pKa
2.2630363
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.60834
LogD (pH = 7.4)
-0.60842884
Log P
-0.6097499
Molar Refractivity
64.3541
Polarizability
25.96752
Polar Surface Area
97.39
Rotatable Bonds
3
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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