Molecule

ID:83243

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉Cl₄N₃OS
Molecular Mass
433.13916
Exact Mass
430.92204364
Charge
0
InChI
InChI=1S/C16H9Cl4N3OS/c17-8-5-6-12(11(19)7-8)21-16(24)22-13-14(25-23-15(13)20)9-3-1-2-4-10(9)18/h1-7H,(H2,21,22,24)
InChIKey
DYWFDZWAPAJGLE-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1Cl)Cl)Nc1c(Cl)nsc1c1ccccc1Cl
Isomeric Smiles
s1c(c(c(n1)Cl)NC(=O)Nc1ccc(cc1Cl)Cl)c1ccccc1Cl
Calculated Properties
JChem
Acid pKa
9.616842
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.368524
LogD (pH = 7.4)
6.3660593
Log P
6.368556
Molar Refractivity
107.1946
Polarizability
40.519993
Polar Surface Area
54.02
Rotatable Bonds
3
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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