Molecule

ID:134506

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNS
Molecular Mass
167.2033432
Exact Mass
167.02049842
Charge
0
InChI
InChI=1S/C8H6FNS/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3
InChIKey
UNHFKKWNCOJAKR-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(c(c1)C)F
Isomeric Smiles
Cc1cc(ccc1F)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6511924
LogD (pH = 7.4)
3.6511943
Log P
3.6511943
Molar Refractivity
48.3785
Polarizability
17.437069
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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