Molecule

ID:36960

General Information
Structure
MolImage
Molecular Formula
C₈H₄N₂S
Molecular Mass
160.19576
Exact Mass
160.00951914
Charge
0
InChI
InChI=1S/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H
InChIKey
UYHQUNLVWOAJQW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc2c(s1)cccc2
Isomeric Smiles
c1ccc2c(c1)nc(s2)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.347113
LogD (pH = 7.4)
2.347113
Log P
2.347113
Molar Refractivity
42.3275
Polarizability
17.47728
Polar Surface Area
36.68
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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