Molecule

ID:74270

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈N₂O₄S₂
Molecular Mass
308.33292
Exact Mass
307.99254875
Charge
0
InChI
InChI=1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H
InChIKey
ODOFDWDUSSFUMN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)SSc1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
S(c1cc(ccc1)[N+](=O)[O-])Sc1cc(ccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4537134
LogD (pH = 7.4)
4.4537134
Log P
4.4537134
Molar Refractivity
77.1096
Polarizability
29.80336
Polar Surface Area
91.64
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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