Molecule

ID:17654

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClFN₂OS
Molecular Mass
284.7370032
Exact Mass
284.01863985
Charge
0
InChI
InChI=1S/C12H10ClFN2OS/c1-7-11(8-2-4-9(14)5-3-8)16-12(18-7)15-10(17)6-13/h2-5H,6H2,1H3,(H,15,16,17)
InChIKey
HDDMQVONPAXBJE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1sc(c(n1)c1ccc(cc1)F)C
Isomeric Smiles
c1(c2ccc(cc2)F)nc(sc1C)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.681397
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9129782
LogD (pH = 7.4)
3.9127655
Log P
3.9129813
Molar Refractivity
70.3928
Polarizability
27.238138
Polar Surface Area
41.99
Rotatable Bonds
3
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