Molecule

ID:32032

General Information
Structure
Molecular Formula
C₁₁H₆F₆N₂
Molecular Mass
280.1691592
Exact Mass
280.04351752
Charge
0
InChI
InChI=1S/C11H6F6N2/c12-10(13,14)8-6-18-19(9(8)11(15,16)17)7-4-2-1-3-5-7/h1-6H
InChIKey
UGUVELSCWTYGNX-UHFFFAOYSA-N
Canonic Smiles
FC(c1n(ncc1C(F)(F)F)c1ccccc1)(F)F
Isomeric Smiles
n1(ncc(c1C(F)(F)F)C(F)(F)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7347605
LogD (pH = 7.4)
3.7347624
Log P
3.7347624
Molar Refractivity
56.2446
Polarizability
19.994923
Polar Surface Area
17.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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