Molecule

ID:84184

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N₃O₄S₂
Molecular Mass
320.17348
Exact Mass
318.92550308
Charge
0
InChI
InChI=1S/C6H7Cl2N3O4S2/c7-4-2(16(10,12)13)1-3(17(11,14)15)6(9)5(4)8/h1H,9H2,(H2,10,12,13)(H2,11,14,15)
InChIKey
DNBXGTICJYDFDT-UHFFFAOYSA-N
Canonic Smiles
Clc1c(N)c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(c(c(c(c1)S(=O)(=O)N)Cl)Cl)N)N
Calculated Properties
JChem
Acid pKa
8.551478
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.4358709
LogD (pH = 7.4)
-0.4619962
Log P
-0.43552923
Molar Refractivity
64.6838
Polarizability
26.255974
Polar Surface Area
146.34
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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