Molecule

ID:11977

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₇O₂
Molecular Mass
240.0756424
Exact Mass
240.00212688
Charge
0
InChI
InChI=1S/C6H3F7O2/c1-2(7)3(14)15-4(5(8,9)10)6(11,12)13/h4H,1H2
InChIKey
RNMOMNJMYZWWGF-UHFFFAOYSA-N
Canonic Smiles
FC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=O)(C(=C)F)OC(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.016446
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.809744
LogD (pH = 7.4)
2.809744
Log P
2.809744
Molar Refractivity
32.8338
Polarizability
12.19756
Polar Surface Area
26.3
Rotatable Bonds
5
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