Molecule

ID:60005

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₂S
Molecular Mass
277.2628096
Exact Mass
277.03843423
Charge
0
InChI
InChI=1S/C11H10F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)/t8-,9?/m1/s1
InChIKey
IYXKNSQXIDNVDV-VEDVMXKPSA-N
Canonic Smiles
OC(=O)[C@H]1CSC(N1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
N1[C@@H](C(=O)O)CSC1c1ccc(C(F)(F)F)cc1
Calculated Properties
JChem
Acid pKa
2.779666
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.32970342
LogD (pH = 7.4)
-0.3670479
Log P
0.34926954
Molar Refractivity
61.2451
Polarizability
23.295565
Polar Surface Area
49.33
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