Molecule

ID:8504

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄F₈N₂
Molecular Mass
328.1607856
Exact Mass
328.0246739
Charge
0
InChI
InChI=1S/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2
InChIKey
FWOLORXQTIGHFX-UHFFFAOYSA-N
Canonic Smiles
Fc1c(c2c(F)c(F)c(c(c2F)F)N)c(F)c(c(c1F)N)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)N)F)F)c1c(c(c(c(c1F)F)N)F)F
Calculated Properties
JChem
Acid pKa
12.485974
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1042347
LogD (pH = 7.4)
3.1042314
Log P
3.1042347
Molar Refractivity
62.3262
Polarizability
21.966457
Polar Surface Area
52.04
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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