Molecule

ID:7086

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₄O₂
Molecular Mass
234.1470528
Exact Mass
234.03039231
Charge
0
InChI
InChI=1S/C10H6F4O2/c11-7-3-1-6(2-4-9(15)16)8(5-7)10(12,13)14/h1-5H,(H,15,16)/b4-2+
InChIKey
OREHSCSLACWBTF-DUXPYHPUSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc(cc1C(F)(F)F)F
Isomeric Smiles
c1c(cc(c(c1)/C=C/C(=O)O)C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
3.3891428
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0586841
LogD (pH = 7.4)
-0.2489977
Log P
3.1566367
Molar Refractivity
49.25
Polarizability
17.324251
Polar Surface Area
37.3
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