Molecule

ID:100326

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉FN₄O
Molecular Mass
290.3359632
Exact Mass
290.15428947
Charge
0
InChI
InChI=1S/C15H19FN4O/c1-15(2,3)13-8-12(14(21)18-17)20(19-13)9-10-4-6-11(16)7-5-10/h4-8H,9,17H2,1-3H3,(H,18,21)
InChIKey
OMYGSOKHINHYPX-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nn1Cc1ccc(cc1)F)C(C)(C)C
Isomeric Smiles
n1c(cc(n1Cc1ccc(cc1)F)C(=O)NN)C(C)(C)C
Calculated Properties
JChem
Acid pKa
13.826772
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6724672
LogD (pH = 7.4)
2.673342
Log P
2.6733532
Molar Refractivity
91.5243
Polarizability
29.724094
Polar Surface Area
72.94
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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