Molecule

ID:66879

General Information
Structure
MolImage
Molecular Formula
C₄H₂N₂S
Molecular Mass
110.13708
Exact Mass
109.99386907
Charge
0
InChI
InChI=1S/C4H2N2S/c5-3-4-6-1-2-7-4/h1-2H
InChIKey
ZIRGWUZHKJDYKT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nccs1
Isomeric Smiles
s1c(ncc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8656797
LogD (pH = 7.4)
0.8656797
Log P
0.8656797
Molar Refractivity
26.4652
Polarizability
10.008134
Polar Surface Area
36.68
Rotatable Bonds
0
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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