Molecule

ID:86806

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂N₄O₂S
Molecular Mass
371.24168
Exact Mass
370.005802
Charge
0
InChI
InChI=1S/C14H12Cl2N4O2S/c1-8-4-3-5-9(6-8)18-14(21)22-17-7-10-11(15)19-13(23-2)20-12(10)16/h3-7H,1-2H3,(H,18,21)
InChIKey
ZQSSUCSUKHNWAK-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(Cl)c(c(n1)Cl)/C=N/OC(=O)Nc1cccc(c1)C
Isomeric Smiles
n1c(nc(c(c1Cl)/C=N/OC(=O)Nc1cccc(c1)C)Cl)SC
Calculated Properties
JChem
Acid pKa
12.38525
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
5.2911773
LogD (pH = 7.4)
5.2911735
Log P
5.2911777
Molar Refractivity
96.8896
Polarizability
35.109978
Polar Surface Area
76.47
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
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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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