Molecule

ID:102423

General Information
Structure
Molecular Formula
C₁₀H₆N₄O₄S₂
Molecular Mass
310.30904
Exact Mass
309.98304669
Charge
0
InChI
InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H
InChIKey
ROUFCTKIILEETD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)SSc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
[O-][N+](=O)c1cnc(SSc2ncc(cc2)[N+](=O)[O-])cc1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.2072835
LogD (pH = 7.4)
3.2072835
Log P
3.2072835
Molar Refractivity
71.4144
Polarizability
28.154022
Polar Surface Area
112.06
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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