Molecule

ID:68059

General Information
Structure
MolImage
Molecular Formula
C₉H₅NS
Molecular Mass
159.2077
Exact Mass
159.01427017
Charge
0
InChI
InChI=1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChIKey
RCYHXESNWFYTCU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2c(s1)cccc2
Isomeric Smiles
c12c(cc(s1)C#N)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8378062
LogD (pH = 7.4)
2.8378062
Log P
2.8378062
Molar Refractivity
44.9038
Polarizability
18.366886
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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