Molecule

ID:79216

General Information
Structure
Molecular Formula
C₁₆H₁₀Cl₄N₄O₂S
Molecular Mass
464.1532
Exact Mass
461.9278573
Charge
0
InChI
InChI=1S/C16H10Cl4N4O2S/c17-9-4-6-12(7-5-9)27(25,26)24-11-3-1-2-10(8-11)21-15-13(18)14(19)22-16(20)23-15/h1-8,24H,(H,21,22,23)
InChIKey
VQIPRUAWRQHAHB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)Nc1nc(Cl)nc(c1Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)Nc1cc(ccc1)Nc1nc(nc(c1Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
7.8133025
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
5.5107803
LogD (pH = 7.4)
5.3895645
Log P
5.5126457
Molar Refractivity
109.3285
Polarizability
42.073624
Polar Surface Area
83.98
Rotatable Bonds
4
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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