Molecule

ID:41366

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇KN₂S₂
Molecular Mass
258.40428
Exact Mass
257.96877191
Charge
0
InChI
InChI=1S/C10H8N2S2.K/c13-10-11-6-5-8(12-10)3-4-9-2-1-7-14-9;/h1-7H,(H,11,12,13);/q;+1/p-1/b4-3+;
InChIKey
PWOMJJHEUSBNKS-BJILWQEISA-M
Canonic Smiles
[S-]c1nccc(n1)/C=C/c1cccs1.[K+]
Isomeric Smiles
c1(nc(/C=C/c2sccc2)ccn1)[S-].[K+]
Calculated Properties
JChem
Acid pKa
9.303292
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3080323
LogD (pH = 7.4)
3.3029227
Log P
3.3081121
Molar Refractivity
59.738
Polarizability
23.750654
Polar Surface Area
25.78
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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