Molecule

ID:56797

General Information
Structure
MolImage
Molecular Formula
C₉H₃Cl₂NO₃S
Molecular Mass
276.09602
Exact Mass
274.92106932
Charge
0
InChI
InChI=1S/C9H3Cl2NO3S/c10-7-5-2-1-4(12(14)15)3-6(5)16-8(7)9(11)13/h1-3H
InChIKey
GHFFWMJYYLDQHG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)sc(c2Cl)C(=O)Cl
Isomeric Smiles
c1(sc2c(c1Cl)ccc([N+](=O)[O-])c2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7166514
LogD (pH = 7.4)
3.7166514
Log P
3.7166514
Molar Refractivity
62.4264
Polarizability
24.20751
Polar Surface Area
62.89
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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