Molecule

ID:86889

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂N₃OS
Molecular Mass
262.1158
Exact Mass
260.95303816
Charge
0
InChI
InChI=1S/C8H5Cl2N3OS/c1-15-8-13-12-7(14-8)4-2-5(9)11-6(10)3-4/h2-3H,1H3
InChIKey
YJOPLIILRKEWAF-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(o1)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
o1c(nnc1SC)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7226942
LogD (pH = 7.4)
2.7226942
Log P
2.7226942
Molar Refractivity
73.8927
Polarizability
23.73553
Polar Surface Area
51.81
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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