Molecule

ID:17482

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClFN₂OS
Molecular Mass
244.6731432
Exact Mass
243.98733972
Charge
0
InChI
InChI=1S/C9H6ClFN2OS/c10-4-8(14)13-9-12-6-2-1-5(11)3-7(6)15-9/h1-3H,4H2,(H,12,13,14)
InChIKey
UTPHNOJSADNBNJ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1nc2c(s1)cc(cc2)F
Isomeric Smiles
c12c(nc(s1)NC(=O)CCl)ccc(c2)F
Calculated Properties
JChem
Acid pKa
10.568555
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7154741
LogD (pH = 7.4)
2.715198
Log P
2.715478
Molar Refractivity
56.4346
Polarizability
22.10589
Polar Surface Area
41.99
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