Molecule

ID:97261

General Information
Structure
Molecular Formula
C₁₅H₁₁F₂N₃
Molecular Mass
271.2647464
Exact Mass
271.09210381
Charge
0
InChI
InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKey
NPUXAMBGXDZITB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nn(c(c1)N)c1ccc(cc1)F
Isomeric Smiles
n1c(c2ccc(cc2)F)cc(n1c1ccc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6364124
LogD (pH = 7.4)
3.63789
Log P
3.637909
Molar Refractivity
73.5704
Polarizability
28.77935
Polar Surface Area
43.84
Rotatable Bonds
2
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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