Molecule

ID:6784

General Information
Structure
Molecular Formula
C₁₅H₁₂F₆N₂
Molecular Mass
334.2595992
Exact Mass
334.09046771
Charge
0
InChI
InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10/h1-8H,22-23H2
InChIKey
UVUCUHVQYAPMEU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(C(F)(F)F)(C(F)(F)F)c1cccc(c1)N
Isomeric Smiles
C(c1cc(ccc1)N)(c1cc(ccc1)N)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7195518
LogD (pH = 7.4)
3.7230635
Log P
3.7231083
Molar Refractivity
86.5791
Polarizability
26.362745
Polar Surface Area
52.04
Rotatable Bonds
4
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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