Molecule

ID:83239

General Information
Structure
Molecular Formula
C₁₁H₈Cl₂N₂OS
Molecular Mass
287.16502
Exact Mass
285.97343925
Charge
0
InChI
InChI=1S/C11H8Cl2N2OS/c1-14-11(16)8-9(17-15-10(8)13)6-4-2-3-5-7(6)12/h2-5H,1H3,(H,14,16)
InChIKey
SGWIZWKLNWANSN-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1c(Cl)nsc1c1ccccc1Cl
Isomeric Smiles
s1c(c(c(n1)Cl)C(=O)NC)c1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
12.815903
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.089373
LogD (pH = 7.4)
3.0893722
Log P
3.0893736
Molar Refractivity
71.5653
Polarizability
27.642609
Polar Surface Area
41.99
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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