Molecule
ID:99765
General Information
Molecular Formula
C₉H₇F₃O₂
Molecular Mass
204.1458896
Exact Mass
204.03981412
Charge
0
InChI
InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3
InChIKey
MLANUBGYWOMWLZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1F)F)F
Isomeric Smiles
O(C(=O)c1c(c(c(cc1)F)F)F)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7616365
LogD (pH = 7.4)
2.7616365
Log P
2.7616365
Molar Refractivity
43.4811
Polarizability
15.94296
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...