Molecule

ID:52445

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNS
Molecular Mass
167.2033432
Exact Mass
167.02049842
Charge
0
InChI
InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5H2
InChIKey
KNPKUMPACMQXGD-UHFFFAOYSA-N
Canonic Smiles
N#CSCc1ccc(cc1)F
Isomeric Smiles
C(c1ccc(cc1)F)SC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6561592
LogD (pH = 7.4)
2.6561592
Log P
2.6561592
Molar Refractivity
44.8764
Polarizability
16.622131
Polar Surface Area
23.79
Rotatable Bonds
2
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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