Molecule

ID:44635

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃OS
Molecular Mass
232.2221896
Exact Mass
232.0169705
Charge
0
InChI
InChI=1S/C10H7F3OS/c11-10(12,13)7-1-2-9-6(3-7)4-8(5-14)15-9/h1-4,14H,5H2
InChIKey
WLNKENBTAMHHBP-UHFFFAOYSA-N
Canonic Smiles
OCc1cc2c(s1)ccc(c2)C(F)(F)F
Isomeric Smiles
c1c(ccc2c1cc(s2)CO)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.368222
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0922089
LogD (pH = 7.4)
3.0922086
Log P
3.0922089
Molar Refractivity
51.9718
Polarizability
20.04263
Polar Surface Area
20.23
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