Molecule

ID:81287

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClN₄O₂S
Molecular Mass
224.66856
Exact Mass
224.01347423
Charge
0
InChI
InChI=1S/C5H9ClN4O2S/c1-3-4(13(11,12)9-7)5(6)10(2)8-3/h9H,7H2,1-2H3
InChIKey
BYXRCFNHMPQUNZ-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)c1c(C)nn(c1Cl)C
Isomeric Smiles
S(=O)(=O)(c1c(n(C)nc1C)Cl)NN
Calculated Properties
JChem
Acid pKa
7.87895
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.82633865
LogD (pH = 7.4)
-0.39684007
Log P
-0.83891356
Molar Refractivity
61.0008
Polarizability
19.524714
Polar Surface Area
90.01
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
No Data Available
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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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