Molecule

ID:69766

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂S
Molecular Mass
136.17436
Exact Mass
136.00951914
Charge
0
InChI
InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChIKey
PDQRQJVPEFGVRK-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)nsn2
Isomeric Smiles
n1snc2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1168747
LogD (pH = 7.4)
2.116875
Log P
2.116875
Molar Refractivity
36.5404
Polarizability
14.7899065
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
References
Bioactivity
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