Molecule

ID:96761

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₆O₂
Molecular Mass
336.2291192
Exact Mass
336.05849888
Charge
0
InChI
InChI=1S/C15H10F6O2/c16-14(17,18)22-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)23-15(19,20)21/h1-8H,9H2
InChIKey
JAVPIXBBOHUETK-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)Cc1ccc(cc1)OC(F)(F)F)(F)F
Isomeric Smiles
O(c1ccc(cc1)Cc1ccc(cc1)OC(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.927263
LogD (pH = 7.4)
6.927263
Log P
6.927263
Molar Refractivity
61.9358
Polarizability
25.591276
Polar Surface Area
18.46
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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