Molecule

ID:100901

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNS
Molecular Mass
167.2033432
Exact Mass
167.02049842
Charge
0
InChI
InChI=1S/C8H6FNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
LDBFGRGBYVULTJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)nc(s2)C
Isomeric Smiles
s1c(nc2c1ccc(c2)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3779793
LogD (pH = 7.4)
2.3792226
Log P
2.3792384
Molar Refractivity
41.7858
Polarizability
17.03174
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation