Molecule

ID:130725

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₄NaO₂S
Molecular Mass
272.25883
Exact Mass
272.03439083
Charge
0
InChI
InChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1
InChIKey
JLDCNMJPBBKAHH-UHFFFAOYSA-N
Canonic Smiles
[Na]N(S(=O)(=O)c1ccc(cc1)N)c1ncccn1
Isomeric Smiles
c1cnc(nc1)N([Na])S(=O)(=O)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.80224466
LogD (pH = 7.4)
-0.80210185
Log P
-0.8021
Molar Refractivity
63.4009
Polarizability
26.252115
Polar Surface Area
89.18
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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