Molecule

ID:88518

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₂NaO₅S
Molecular Mass
254.19565
Exact Mass
253.99733662
Charge
0
InChI
InChI=1S/C7H8N2O5S.Na/c10-15(11,12)9-8-5-1-2-6-7(3-5)14-4-13-6;/h1-3,8-9H,4H2,(H,10,11,12);/q;+1/p-1
InChIKey
KIBZKFPNYNTEHF-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)NNc1ccc2c(c1)OCO2.[Na+]
Isomeric Smiles
O1c2c(ccc(c2)NNS(=O)(=O)[O-])OC1.[Na+]
Calculated Properties
JChem
Acid pKa
-1.6403769
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.0673826
LogD (pH = 7.4)
-2.0673714
Log P
0.30900857
Molar Refractivity
49.632
Polarizability
19.822802
Polar Surface Area
99.72
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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