Molecule

ID:26243

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂N₂S
Molecular Mass
269.14974
Exact Mass
267.96287456
Charge
0
InChI
InChI=1S/C11H6Cl2N2S/c12-6-1-2-7(10(13)3-6)9-5-16-11(15)8(9)4-14/h1-3,5H,15H2
InChIKey
BVGZRPSQXSOPOR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)scc1c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(csc1N)c1c(cc(cc1)Cl)Cl)C#N
Calculated Properties
JChem
Acid pKa
19.191263
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8021686
LogD (pH = 7.4)
3.8021686
Log P
3.8021686
Molar Refractivity
67.4915
Polarizability
26.656443
Polar Surface Area
49.81
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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