Molecule

ID:86803

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₃N₃O₂S
Molecular Mass
376.64552
Exact Mass
374.94028055
Charge
0
InChI
InChI=1S/C13H8Cl3N3O2S/c1-22-13-18-10(15)9(11(16)19-13)6-17-21-12(20)7-2-4-8(14)5-3-7/h2-6H,1H3
InChIKey
OIAGLSBKYPAWKX-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)c(c(n1)Cl)/C=N/OC(=O)c1ccc(cc1)Cl
Isomeric Smiles
n1c(nc(c(c1Cl)/C=N/OC(=O)c1ccc(cc1)Cl)Cl)SC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.5282764
LogD (pH = 7.4)
5.5282764
Log P
5.5282764
Molar Refractivity
92.1919
Polarizability
34.12587
Polar Surface Area
64.44
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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