Molecule

ID:61607

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃O₂S
Molecular Mass
175.20886
Exact Mass
175.04154754
Charge
0
InChI
InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3
InChIKey
YRRWNBMOJMMXQY-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)n1cncc1)C
Isomeric Smiles
n1ccn(c1)S(=O)(=O)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4879619
LogD (pH = 7.4)
-1.3416692
Log P
-1.3390785
Molar Refractivity
40.4522
Polarizability
16.229221
Polar Surface Area
55.2
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
References
Bioactivity
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