Molecule

ID:43803

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁F₂N₃O₂
Molecular Mass
267.2314464
Exact Mass
267.08193305
Charge
0
InChI
InChI=1S/C12H11F2N3O2/c1-2-19-12(18)8-6-16-17(11(8)15)10-4-3-7(13)5-9(10)14/h3-6H,2,15H2,1H3
InChIKey
DGBJZQRJXYRKBT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1N)c1ccc(cc1F)F
Isomeric Smiles
n1(c(c(cn1)C(=O)OCC)N)c1c(cc(cc1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6150184
LogD (pH = 7.4)
2.6151168
Log P
2.6151183
Molar Refractivity
65.5801
Polarizability
24.282162
Polar Surface Area
70.14
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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