Molecule

ID:81138

General Information
Structure
MolImage
Molecular Formula
C₄Cl₂N₂O₄S
Molecular Mass
243.0248
Exact Mass
241.89558285
Charge
0
InChI
InChI=1S/C4Cl2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3
InChIKey
UNRSLHGBQKYYSF-UHFFFAOYSA-N
Canonic Smiles
Clc1sc(c(c1[N+](=O)[O-])[N+](=O)[O-])Cl
Isomeric Smiles
s1c(c(c(c1Cl)[N+](=O)[O-])[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1737375
LogD (pH = 7.4)
3.1737375
Log P
3.1737375
Molar Refractivity
43.7342
Polarizability
17.325262
Polar Surface Area
86.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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