Molecule

ID:59045

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄S
Molecular Mass
192.24092
Exact Mass
192.04696728
Charge
0
InChI
InChI=1S/C8H8N4S/c9-10-8-4-3-6(11-12-8)7-2-1-5-13-7/h1-5H,9H2,(H,10,12)
InChIKey
ARNOKZCUVMCJQP-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(nn1)c1cccs1
Isomeric Smiles
c1(ccc(nn1)NN)c1cccs1
Calculated Properties
JChem
Acid pKa
17.983091
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4720243
LogD (pH = 7.4)
1.5705944
Log P
1.5721273
Molar Refractivity
55.4387
Polarizability
20.718163
Polar Surface Area
63.83
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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