Molecule
ID:96175
General Information
Molecular Formula
C₂₃H₁₆F₄O₂
Molecular Mass
400.3655528
Exact Mass
400.10864263
Charge
0
InChI
InChI=1S/C23H16F4O2/c24-19-11-13-22(29-15-17-4-2-1-3-5-17)20(14-19)21(28)12-8-16-6-9-18(10-7-16)23(25,26)27/h1-14H,15H2
InChIKey
BEFDTACMNUYZGV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)C(F)(F)F)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1C(=O)/C=C/c1ccc(cc1)C(F)(F)F)F)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.122663
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4776773
LogD (pH = 7.4)
6.4776773
Log P
6.4776773
Molar Refractivity
104.1429
Polarizability
38.09304
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...