Molecule

ID:19402

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₂N
Molecular Mass
205.2033664
Exact Mass
205.07030573
Charge
0
InChI
InChI=1S/C12H9F2N/c13-10-6-5-8(7-11(10)14)9-3-1-2-4-12(9)15/h1-7H,15H2
InChIKey
HFHHGKVFBPGNTR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1ccc(c(c1)F)F
Isomeric Smiles
c1(c2c(N)cccc2)cc(c(cc1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0727832
LogD (pH = 7.4)
3.0768964
Log P
3.0769491
Molar Refractivity
56.3274
Polarizability
21.70314
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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