Molecule

ID:81047

General Information
Structure
Molecular Formula
C₁₂H₆N₂O₄S₂
Molecular Mass
306.31704
Exact Mass
305.97689868
Charge
0
InChI
InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H
InChIKey
RUQGCDMXFBOTMW-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1onc(c1C(=O)c1cccs1)C(=O)c1cccs1
Isomeric Smiles
[n+]1(c(c(no1)C(=O)c1cccs1)C(=O)c1cccs1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.839
LogD (pH = 7.4)
1.839
Log P
1.839
Molar Refractivity
93.9158
Polarizability
26.82664
Polar Surface Area
85.63
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
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References
Bioactivity
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