Molecule

ID:129326

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₃N₄O₂
Molecular Mass
336.2686496
Exact Mass
336.08341027
Charge
0
InChI
InChI=1S/C15H11F3N4O2/c1-14(2)12(23)22(13(24)21(14)6-5-19)10-4-3-9(8-20)11(7-10)15(16,17)18/h3-4,7H,6H2,1-2H3
InChIKey
ZVWXHSNUBLIKJH-UHFFFAOYSA-N
Canonic Smiles
N#CCN1C(=O)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
Isomeric Smiles
O=C1N(CC#N)C(C)(C)C(=O)N1c1cc(C(F)(F)F)c(cc1)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9264971
LogD (pH = 7.4)
1.9264971
Log P
1.9264971
Molar Refractivity
76.5835
Polarizability
27.903572
Polar Surface Area
88.2
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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