Molecule

ID:34643

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O₂S
Molecular Mass
187.21956
Exact Mass
187.04154754
Charge
0
InChI
InChI=1S/C6H9N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
InChIKey
NBJSNAGTUCWQRO-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1ccc(NN)cc1)N
Calculated Properties
JChem
Acid pKa
10.883858
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.17860074
LogD (pH = 7.4)
-0.031448808
Log P
-0.029080804
Molar Refractivity
47.9226
Polarizability
18.21228
Polar Surface Area
98.21
Rotatable Bonds
2
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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