Molecule

ID:7990

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNS
Molecular Mass
167.2033432
Exact Mass
167.02049842
Charge
0
InChI
InChI=1S/C8H6FNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
InChIKey
CCKNPKNHNFDGND-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1cccc(c1)F
Isomeric Smiles
c1ccc(cc1CN=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
17.530941
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation