Molecule

ID:99520

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₆N₂
Molecular Mass
280.1691592
Exact Mass
280.04351752
Charge
0
InChI
InChI=1S/C11H6F6N2/c12-10(13,14)6-3-1-2-5-7(18)4-8(11(15,16)17)19-9(5)6/h1-4H,(H2,18,19)
InChIKey
JIVITABMOYYSAY-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1c(cc(c2cccc(c12)C(F)(F)F)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4409323
LogD (pH = 7.4)
3.443489
Log P
3.4435217
Molar Refractivity
56.2551
Polarizability
20.557558
Polar Surface Area
38.91
Rotatable Bonds
2
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