Molecule

ID:113756

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S₂
Molecular Mass
222.3298
Exact Mass
222.02854033
Charge
0
InChI
InChI=1S/C10H10N2S2/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)
InChIKey
KUZMWCUBXLBJQY-UHFFFAOYSA-N
Canonic Smiles
Sc1ncnc2c1c1CCCCc1s2
Isomeric Smiles
c12c(c3c(s1)CCCC3)c(ncn2)S
Calculated Properties
JChem
Acid pKa
7.7862577
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5634234
LogD (pH = 7.4)
3.4227195
Log P
3.5655806
Molar Refractivity
61.7586
Polarizability
23.58801
Polar Surface Area
25.78
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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