Molecule

ID:89268

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₄S
Molecular Mass
256.32618
Exact Mass
256.0782674
Charge
0
InChI
InChI=1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)
InChIKey
UOFGSWVZMUXXIY-UHFFFAOYSA-N
Canonic Smiles
S=C(/N=N/c1ccccc1)NNc1ccccc1
Isomeric Smiles
N(c1ccccc1)NC(=S)/N=N/c1ccccc1
Calculated Properties
JChem
Acid pKa
11.184186
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.2586465
LogD (pH = 7.4)
4.2585845
Log P
4.2586474
Molar Refractivity
79.4026
Polarizability
29.180603
Polar Surface Area
48.78
Rotatable Bonds
3
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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