Molecule

ID:136158

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₅S
Molecular Mass
218.19183484
Exact Mass
218.00784817
Charge
0
InChI
InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3/i1+1
InChIKey
RMNJNEUWTBBZPT-OUBTZVSYSA-N
Canonic Smiles
[13CH3]OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[13CH3]OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4720974
LogD (pH = 7.4)
1.4720974
Log P
1.4720974
Molar Refractivity
48.4875
Polarizability
19.043816
Polar Surface Area
89.19
Rotatable Bonds
3
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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