Molecule

ID:83065

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₄N₂O₂S
Molecular Mass
372.05454
Exact Mass
369.89040916
Charge
0
InChI
InChI=1S/C11H6Cl4N2O2S/c12-6-7(13)9(15)11(17(18)19)10(8(6)14)16-4-5-2-1-3-20-5/h1-3,16H,4H2
InChIKey
ZGEIWOYOAQNOCK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(NCc2cccs2)c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(c(c1NCc1cccs1)Cl)Cl)Cl)Cl)[O-]
Calculated Properties
JChem
Acid pKa
11.060723
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.08954
LogD (pH = 7.4)
6.0894513
Log P
6.0895414
Molar Refractivity
84.2982
Polarizability
31.368736
Polar Surface Area
57.85
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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