Molecule

ID:8613

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂S
Molecular Mass
244.2361896
Exact Mass
244.02820389
Charge
0
InChI
InChI=1S/C10H7F3N2S/c11-10(12,13)7-1-3-8(4-2-7)15-6-5-14-9(15)16/h1-6H,(H,14,16)
InChIKey
GEUKXLKPQGIDDE-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)n1cc[nH]c1=S)(F)F
Isomeric Smiles
c1c[nH]c(=S)n1c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.868383
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.2814603
LogD (pH = 7.4)
3.280114
Log P
3.2814775
Molar Refractivity
58.9835
Polarizability
21.634903
Polar Surface Area
15.27
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