Molecule

ID:44751

General Information
Structure
Molecular Formula
C₁₀H₅F₃OS
Molecular Mass
230.2063096
Exact Mass
230.00132044
Charge
0
InChI
InChI=1S/C10H5F3OS/c11-10(12,13)7-1-2-9-6(3-7)4-8(5-14)15-9/h1-5H
InChIKey
DTIDFIVAOCVTND-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(s1)ccc(c2)C(F)(F)F
Isomeric Smiles
c1c(ccc2c1cc(s2)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5720608
LogD (pH = 7.4)
3.5720608
Log P
3.5720608
Molar Refractivity
51.7399
Polarizability
19.512983
Polar Surface Area
17.07
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