Molecule

ID:14168

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClFNOS
Molecular Mass
283.7489432
Exact Mass
283.02339088
Charge
0
InChI
InChI=1S/C13H11ClFNOS/c14-10-8-9(3-4-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6H2
InChIKey
PYTLKBYSGCPYNI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccs1)CCNc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(cc(c(cc1)F)Cl)NCCC(=O)c1cccs1
Calculated Properties
JChem
Acid pKa
14.542918
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5366108
LogD (pH = 7.4)
3.5743835
Log P
3.574887
Molar Refractivity
72.764
Polarizability
26.936794
Polar Surface Area
29.1
Rotatable Bonds
5
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