Molecule

ID:93208

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₂
Molecular Mass
204.1458896
Exact Mass
204.03981412
Charge
0
InChI
InChI=1S/C9H7F3O2/c1-5-6(8(13)14)3-2-4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey
SSCFPSMXIDAJDT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1C)C(F)(F)F
Isomeric Smiles
OC(=O)c1c(c(ccc1)C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
3.8396792
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3582164
LogD (pH = 7.4)
-0.2216112
Log P
3.0220985
Molar Refractivity
44.3291
Polarizability
15.74309
Polar Surface Area
37.3
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