Molecule

ID:5264

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂S₂
Molecular Mass
220.31392
Exact Mass
220.01289027
Charge
0
InChI
InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H
InChIKey
UHBAPGWWRFVTFS-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)SSc1ccncc1
Isomeric Smiles
c1cnccc1SSc1ccncc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.14
LogD (pH = 5.5)
2.09
Log P
2.14
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.60
Polar Surface Area
25.78
Polarizability
21.43
Molar Refractivity
58.15
LOG S
-2.85
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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