Molecule

ID:101138

General Information
Structure
MolImage
Molecular Formula
C₉H₅NS
Molecular Mass
159.2077
Exact Mass
159.01427017
Charge
0
InChI
InChI=1S/C9H5NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChIKey
IPJUOWGTGHKFKN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)ccs2
Isomeric Smiles
N#Cc1cc2c(scc2)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7053668
LogD (pH = 7.4)
2.7053668
Log P
2.7053668
Molar Refractivity
45.1197
Polarizability
18.346079
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
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References
Bioactivity
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