Molecule

ID:79999

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₄S
Molecular Mass
269.27704
Exact Mass
269.04702685
Charge
0
InChI
InChI=1S/C10H11N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-5-9(14)12-10(15)6-13/h1-4H,5-6,11H2,(H,12,14,15)
InChIKey
FLFBAOVWRTUPPW-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(CC(=O)N1)S(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(N1CC(=O)NC(=O)C1)c1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
11.471385
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.4415512
LogD (pH = 7.4)
-1.4413586
Log P
-1.4413192
Molar Refractivity
63.6233
Polarizability
24.813282
Polar Surface Area
109.57
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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