Molecule

ID:126457

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₅S₂
Molecular Mass
374.81984
Exact Mass
373.97979114
Charge
0
InChI
InChI=1S/C13H11ClN2O5S2/c1-21-22(12-6-4-11(5-7-12)16(17)18)15-23(19,20)13-8-2-10(14)3-9-13/h2-9H,1H3
InChIKey
GIFNUYPIOIDEGE-UHFFFAOYSA-N
Canonic Smiles
CO/S(=N/S(=O)(=O)c1ccc(cc1)Cl)/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
O=[N+]([O-])c1ccc(cc1)/S(=N\S(=O)(=O)c1ccc(cc1)Cl)/OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0170913
LogD (pH = 7.4)
3.0170913
Log P
3.0170913
Molar Refractivity
88.9889
Polarizability
34.726727
Polar Surface Area
101.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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