Molecule

ID:7989

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNS
Molecular Mass
167.2033432
Exact Mass
167.02049842
Charge
0
InChI
InChI=1S/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChIKey
HHJNPMOABDDXEL-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1ccccc1F
Isomeric Smiles
c1cccc(c1CN=C=S)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.936825
LogD (pH = 7.4)
2.936825
Log P
2.936825
Molar Refractivity
46.1581
Polarizability
17.53078
Polar Surface Area
12.36
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
References
Bioactivity
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