Molecule

ID:9818

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₆N₂
Molecular Mass
320.2330192
Exact Mass
320.07481765
Charge
0
InChI
InChI=1S/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2
InChIKey
NVKGJHAQGWCWDI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(c2c(cc(cc2)N)C(F)(F)F)c(cc(cc1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.714876
LogD (pH = 7.4)
3.7182727
Log P
3.7183163
Molar Refractivity
72.5424
Polarizability
25.809351
Polar Surface Area
52.04
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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