Molecule

ID:127802

General Information
Structure
MolImage
Molecular Formula
C₃H₄ClN₅O₂S
Molecular Mass
209.61416
Exact Mass
208.97742307
Charge
0
InChI
InChI=1S/C3H3N5O2S.ClH/c4-6-7-11(9,10)8-2-1-5-3-8;/h1-3H;1H
InChIKey
XYURSCOGYWBRDR-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=NS(=O)(=O)n1cncc1.Cl
Isomeric Smiles
Cl.O=S(=O)(N=[N+]=[N-])n1ccnc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-1.2663138
LogD (pH = 7.4)
-1.2557296
Log P
-1.1415461
Molar Refractivity
35.2159
Polarizability
13.8508625
Polar Surface Area
81.39
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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