Molecule

ID:23826

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉N₃O₂S
Molecular Mass
283.30516
Exact Mass
283.04154754
Charge
0
InChI
InChI=1S/C14H9N3O2S/c15-9-11-8-12-6-7-17(14(12)16-10-11)20(18,19)13-4-2-1-3-5-13/h1-8,10H
InChIKey
UXEJLYXBSSTCEF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc2c(c1)ccn2S(=O)(=O)c1ccccc1
Isomeric Smiles
c1(cnc2c(c1)ccn2S(=O)(=O)c1ccccc1)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0072677
LogD (pH = 7.4)
2.0072677
Log P
2.0072677
Molar Refractivity
73.6821
Polarizability
29.529875
Polar Surface Area
75.75
Rotatable Bonds
1
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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