Molecule

ID:84456

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂N₃O₂S₂
Molecular Mass
336.21748
Exact Mass
334.93567384
Charge
0
InChI
InChI=1S/C10H7Cl2N3O2S2/c11-7-4-6(5-8(12)14-7)10(13)15-19(16,17)9-2-1-3-18-9/h1-5H,(H2,13,15)
InChIKey
JKOLOSSZDQDGAM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=N)NS(=O)(=O)c1cccs1
Isomeric Smiles
S(=O)(=O)(c1cccs1)NC(=N)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
8.424938
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8114612
LogD (pH = 7.4)
2.7773974
Log P
2.81193
Molar Refractivity
86.7653
Polarizability
29.626366
Polar Surface Area
82.91
Rotatable Bonds
2
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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