Molecule

ID:52194

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄S₂
Molecular Mass
226.3218
Exact Mass
226.03468834
Charge
0
InChI
InChI=1S/C8H10N4S2/c9-7(13)11-5-2-1-3-6(4-5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)
InChIKey
PZMVHTFOYWAHTK-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1cccc(c1)NC(=S)N
Isomeric Smiles
c1(cc(ccc1)NC(=S)N)NC(=S)N
Calculated Properties
JChem
Acid pKa
9.172285
H Acceptors
0
H Donor
4
LogD (pH = 5.5)
1.5612264
LogD (pH = 7.4)
1.5543826
Log P
1.5613147
Molar Refractivity
69.1192
Polarizability
25.425344
Polar Surface Area
76.1
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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