Molecule

ID:75985

General Information
Structure
Molecular Formula
C₉H₅NS
Molecular Mass
159.2077
Exact Mass
159.01427017
Charge
0
InChI
InChI=1S/C9H5NS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H
InChIKey
DRNFPCFRKOZEPV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc2c1scc2
Isomeric Smiles
s1c2c(cccc2C#N)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
18.35434
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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