Molecule

ID:125131

General Information
Structure
MolImage
Molecular Formula
C₅H₅NS
Molecular Mass
111.1649
Exact Mass
111.01427017
Charge
0
InChI
InChI=1S/C5H5NS/c1-2-4-7-5-6-3-1/h1-5H
InChIKey
SIMIXFVGSWZJJV-UHFFFAOYSA-N
Canonic Smiles
S1C=CC=CN=C1
Isomeric Smiles
C1=CC=CN=CS1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.11250309
LogD (pH = 7.4)
0.87882113
Log P
0.9065334
Molar Refractivity
34.14
Polarizability
12.544404
Polar Surface Area
12.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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