Molecule

ID:104659

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N₄NaO₂S
Molecular Mass
322.31751
Exact Mass
322.05004089
Charge
0
InChI
InChI=1S/C14H11N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2;/q-1;+1
InChIKey
WXUQBKOBXREBBX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)N(c1cnc2c(n1)cccc2)[Na]
Isomeric Smiles
Nc1ccc(cc1)S(=O)(=O)N([Na])c1nc2c(cccc2)nc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.5257756
LogD (pH = 7.4)
0.52599716
Log P
0.526
Molar Refractivity
78.4965
Polarizability
33.700245
Polar Surface Area
89.18
Rotatable Bonds
2
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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