Molecule

ID:83231

General Information
Structure
Molecular Formula
C₁₀H₆Cl₂N₂OS
Molecular Mass
273.13844
Exact Mass
271.95778918
Charge
0
InChI
InChI=1S/C10H6Cl2N2OS/c11-6-4-2-1-3-5(6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15)
InChIKey
RGXKSKQYJODGLK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1snc(c1C(=O)N)Cl
Isomeric Smiles
s1c(c(c(n1)Cl)C(=O)N)c1ccccc1Cl
Calculated Properties
JChem
Acid pKa
12.497901
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8656971
LogD (pH = 7.4)
2.8657007
Log P
2.8656976
Molar Refractivity
66.6686
Polarizability
25.812866
Polar Surface Area
55.98
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
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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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