Molecule

ID:94736

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₄O₄
Molecular Mass
270.1776128
Exact Mass
270.05152168
Charge
0
InChI
InChI=1S/C10H10F4O4/c1-3-7(15)17-5-9(11,12)10(13,14)6-18-8(16)4-2/h3-4H,1-2,5-6H2
InChIKey
DYEMEIBDBHAAFO-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(C(COC(=O)C=C)(F)F)(F)F
Isomeric Smiles
O(CC(F)(F)C(F)(F)COC(=O)C=C)C(=O)C=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0541098
LogD (pH = 7.4)
3.0541098
Log P
3.0541098
Molar Refractivity
51.488
Polarizability
19.733152
Polar Surface Area
52.6
Rotatable Bonds
9
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