Molecule

ID:84689

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂N₄S
Molecular Mass
275.15762
Exact Mass
273.98467264
Charge
0
InChI
InChI=1S/C9H8Cl2N4S/c1-16-9-14-13-8(15(9)12)5-2-6(10)4-7(11)3-5/h2-4H,12H2,1H3
InChIKey
ZIXIUQDKIPPEHS-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(n1N)c1cc(Cl)cc(c1)Cl
Isomeric Smiles
n1(c(nnc1SC)c1cc(cc(c1)Cl)Cl)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.474008
LogD (pH = 7.4)
2.4740512
Log P
2.474052
Molar Refractivity
82.0672
Polarizability
26.368948
Polar Surface Area
56.73
Rotatable Bonds
2
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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