Molecule

ID:118479

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄S₂
Molecular Mass
266.38566
Exact Mass
266.06598847
Charge
0
InChI
InChI=1S/C11H14N4S2/c1-2-10(16-7-1)9-8-17-11(14-13-9)15-5-3-12-4-6-15/h1-2,7,12H,3-6,8H2
InChIKey
SYLNCRLENBECIV-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1=NN=C(CS1)c1cccs1
Isomeric Smiles
C1(=NN=C(c2sccc2)CS1)N1CCNCC1
Calculated Properties
JChem
Acid pKa
19.884323
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6734449
LogD (pH = 7.4)
-0.12687957
Log P
1.3069879
Molar Refractivity
72.7854
Polarizability
27.632053
Polar Surface Area
39.99
Rotatable Bonds
1
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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