Molecule

ID:103137

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁N₂NaO₄S
Molecular Mass
350.32431
Exact Mass
350.03372212
Charge
0
InChI
InChI=1S/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,19H,(H,20,21,22);/q;+1/p-1
InChIKey
YOCIQNIEQYCORH-UHFFFAOYSA-M
Canonic Smiles
Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)[O-].[Na+]
Isomeric Smiles
[Na+].Oc1ccc2cc(ccc2c1/N=N/c1ccccc1)S(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-2.414828
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
1.8695625
LogD (pH = 7.4)
1.8695428
Log P
2.2929413
Molar Refractivity
88.3089
Polarizability
34.158016
Polar Surface Area
102.15
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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