Molecule
ID:38053
General Information
Molecular Formula
C₁₆H₁₃F₂N₃O₂
Molecular Mass
317.2901264
Exact Mass
317.09758311
Charge
0
InChI
InChI=1S/C16H13F2N3O2/c1-2-23-16(22)11-9-19-21-13(14(17)18)8-12(20-15(11)21)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3
InChIKey
AZESOZJHNZZYFW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nc(cc2C(F)F)c1ccccc1
Isomeric Smiles
c12n(c(cc(n2)c2ccccc2)C(F)F)ncc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3554204
LogD (pH = 7.4)
3.3554223
Log P
3.3554223
Molar Refractivity
90.2732
Polarizability
30.880444
Polar Surface Area
56.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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