Molecule

ID:84699

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂OS
Molecular Mass
287.16502
Exact Mass
285.97343925
Charge
0
InChI
InChI=1S/C11H7ClN2OS.ClH/c12-7-9(15)6-4-2-1-3-5(6)8-10(7)16-11(13)14-8;/h1-4,7H,(H2,13,14);1H
InChIKey
TXYUYLGRUNJVBX-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(n1)c1ccccc1C(=O)C2Cl.Cl
Isomeric Smiles
n1c(sc2c1c1c(cccc1)C(=O)C2Cl)N.Cl
Calculated Properties
JChem
Acid pKa
9.1942425
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.710607
LogD (pH = 7.4)
2.7039835
Log P
2.7110527
Molar Refractivity
63.4443
Polarizability
25.027431
Polar Surface Area
55.98
Rotatable Bonds
0
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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