Molecule
ID:94655
General Information
Molecular Formula
C₁₃H₆F₁₀N₂
Molecular Mass
380.184172
Exact Mass
380.0371304
Charge
0
InChI
InChI=1S/C13H6F10N2/c14-10(15,12(19,20)13(21,22)23)9-6-8(11(16,17)18)24-25(9)7-4-2-1-3-5-7/h1-6H
InChIKey
VGGSGZKRTOUGOP-UHFFFAOYSA-N
Canonic Smiles
FC(c1nn(c(c1)C(C(C(F)(F)F)(F)F)(F)F)c1ccccc1)(F)F
Isomeric Smiles
n1c(C(F)(F)F)cc(n1c1ccccc1)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.521898
LogD (pH = 7.4)
5.5218983
Log P
5.5218983
Molar Refractivity
65.2086
Polarizability
23.513353
Polar Surface Area
17.82
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...