Molecule

ID:38028

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃F₂N₃O₂
Molecular Mass
281.2580264
Exact Mass
281.09758311
Charge
0
InChI
InChI=1S/C13H13F2N3O2/c1-2-20-13(19)8-6-16-18-10(11(14)15)5-9(7-3-4-7)17-12(8)18/h5-7,11H,2-4H2,1H3
InChIKey
FVPTYCMINNLCBS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(cc2C(F)F)C1CC1
Isomeric Smiles
c12n(c(cc(n2)C2CC2)C(F)F)ncc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.233511
LogD (pH = 7.4)
2.233513
Log P
2.233513
Molar Refractivity
77.4997
Polarizability
24.835571
Polar Surface Area
56.49
Rotatable Bonds
5
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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