Molecule

ID:93345

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₂N₂
Molecular Mass
184.1859064
Exact Mass
184.08120477
Charge
0
InChI
InChI=1S/C9H10F2N2/c1-12-7-5-3-4-6-8(7)13(2)9(12,10)11/h3-6H,1-2H3
InChIKey
FRUCITGQYAGWHT-UHFFFAOYSA-N
Canonic Smiles
CN1c2ccccc2N(C1(F)F)C
Isomeric Smiles
N1(c2c(cccc2)N(C1(F)F)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.520654
LogD (pH = 7.4)
3.520654
Log P
3.520654
Molar Refractivity
45.8256
Polarizability
16.88372
Polar Surface Area
6.48
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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