Molecule

ID:86744

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂N₃OS
Molecular Mass
286.1372
Exact Mass
284.95303816
Charge
0
InChI
InChI=1S/C10H5Cl2N3OS/c1-2-3-17-10-15-14-9(16-10)6-4-7(11)13-8(12)5-6/h1,4-5H,3H2
InChIKey
TXBOEDHQSBNKAY-UHFFFAOYSA-N
Canonic Smiles
C#CCSc1nnc(o1)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
o1c(nnc1SCC#C)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8469992
LogD (pH = 7.4)
2.8469994
Log P
2.8469994
Molar Refractivity
81.5221
Polarizability
26.307838
Polar Surface Area
51.81
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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