Molecule

ID:97478

General Information
Structure
Molecular Formula
C₉H₃F₅O₂
Molecular Mass
238.110936
Exact Mass
238.00532044
Charge
0
InChI
InChI=1S/C9H3F5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2
InChIKey
RFOWDPMCXHVGET-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O(c1c(c(c(c(c1F)F)F)F)F)C(=O)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2836428
LogD (pH = 7.4)
3.2836428
Log P
3.2836428
Molar Refractivity
42.9201
Polarizability
15.571562
Polar Surface Area
26.3
Rotatable Bonds
3
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