Molecule

ID:93083

General Information
Structure
Molecular Formula
C₅H₇F₅O₂
Molecular Mass
194.099896
Exact Mass
194.03662056
Charge
0
InChI
InChI=1S/C5H7F5O2/c1-11-4(7,8)3(6)5(9,10)12-2/h3H,1-2H3
InChIKey
QXFWMCWAGHYFKP-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(OC)(F)F)F)(F)F
Isomeric Smiles
O(C(C(C(OC)(F)F)F)(F)F)C
Calculated Properties
JChem
Acid pKa
15.2993145
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0346081
LogD (pH = 7.4)
2.0346081
Log P
2.0346081
Molar Refractivity
29.4566
Polarizability
11.107738
Polar Surface Area
18.46
Rotatable Bonds
4
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