Molecule

ID:115295

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄S₂
Molecular Mass
262.3539
Exact Mass
262.03468834
Charge
0
InChI
InChI=1S/C11H10N4S2/c1-7-5-10(12)15(14-7)11-13-8(6-17-11)9-3-2-4-16-9/h2-6H,12H2,1H3
InChIKey
WUMUXVAIQZIREC-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)c1scc(n1)c1cccs1
Isomeric Smiles
n1(c2nc(c3sccc3)cs2)c(cc(n1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5980232
LogD (pH = 7.4)
2.6039894
Log P
2.6040661
Molar Refractivity
69.3007
Polarizability
27.041636
Polar Surface Area
56.73
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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