Molecule

ID:22234

General Information
Structure
MolImage
Molecular Formula
C₅H₃NS
Molecular Mass
109.14902
Exact Mass
108.9986201
Charge
0
InChI
InChI=1S/C5H3NS/c6-3-5-1-2-7-4-5/h1-2,4H
InChIKey
GSXCEVHRIVLFJV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cscc1
Isomeric Smiles
c1c(csc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.609784
LogD (pH = 7.4)
1.609784
Log P
1.609784
Molar Refractivity
28.8854
Polarizability
10.825946
Polar Surface Area
23.79
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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