Molecule

ID:9456

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNS
Molecular Mass
167.2033432
Exact Mass
167.02049842
Charge
0
InChI
InChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChIKey
BJFLSPRQCMQITC-UHFFFAOYSA-N
Canonic Smiles
N#CCSc1ccc(cc1)F
Isomeric Smiles
c1cc(ccc1SCC#N)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9687632
LogD (pH = 7.4)
1.9687632
Log P
1.9687632
Molar Refractivity
44.2448
Polarizability
16.565706
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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