Molecule

ID:84497

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂N₃O₂S
Molecular Mass
344.21634
Exact Mass
342.99490297
Charge
0
InChI
InChI=1S/C13H11Cl2N3O2S/c1-9-2-4-11(5-3-9)21(19,20)18-16-8-10-6-12(14)17-13(15)7-10/h2-8,18H,1H3
InChIKey
NUCOBGZZRUZNLZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cc(Cl)nc(c1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)N/N=C/c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.824619
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.6628635
LogD (pH = 7.4)
3.6741097
Log P
3.6627178
Molar Refractivity
85.9315
Polarizability
32.58002
Polar Surface Area
71.42
Rotatable Bonds
3
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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