Molecule

ID:53807

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃O₂S
Molecular Mass
207.63804
Exact Mass
206.98692513
Charge
0
InChI
InChI=1S/C5H6ClN3O2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H,(H2,7,9)(H2,8,10,11)
InChIKey
SUXWIRGLOFKIRJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)S(=O)(=O)N)N
Isomeric Smiles
S(=O)(=O)(c1c(ncc(c1)Cl)N)N
Calculated Properties
JChem
Acid pKa
9.156146
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.26892003
LogD (pH = 7.4)
-0.2755008
Log P
-0.2688196
Molar Refractivity
45.8777
Polarizability
17.915552
Polar Surface Area
99.07
Rotatable Bonds
1
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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