Molecule

ID:40686

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃OS
Molecular Mass
219.26296
Exact Mass
219.04663292
Charge
0
InChI
InChI=1S/C10H9N3OS/c11-13-9(14)8-6-15-10(12-8)7-4-2-1-3-5-7/h1-6H,11H2,(H,13,14)
InChIKey
UOOVLEVHLHNGPC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1csc(n1)c1ccccc1
Isomeric Smiles
c1(nc(sc1)c1ccccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.282501
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5963095
LogD (pH = 7.4)
1.5968173
Log P
1.5968238
Molar Refractivity
69.5585
Polarizability
22.658293
Polar Surface Area
68.01
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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