Molecule

ID:96999

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)5-10-6-11/h1-4H,5H2
InChIKey
LPVNPJMEWWUFHD-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1ccc(cc1)F
Isomeric Smiles
N(=C=S)Cc1ccc(cc1)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
17.530958
Polar Surface Area
12.36
Rotatable Bonds
2
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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