Molecule

ID:27190

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₂N₂O₂
Molecular Mass
216.1847064
Exact Mass
216.07103401
Charge
0
InChI
InChI=1S/C9H10F2N2O2/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
InChIKey
XMLJYYNXTFURTG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc(cc1F)F)C
Isomeric Smiles
C(=O)(C(Oc1c(cc(cc1)F)F)C)NN
Calculated Properties
JChem
Acid pKa
10.592148
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0428917
LogD (pH = 7.4)
1.0437461
Log P
1.0443077
Molar Refractivity
49.8388
Polarizability
18.697325
Polar Surface Area
64.35
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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