Molecule

ID:122130

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄F₃N₃O
Molecular Mass
285.2649696
Exact Mass
285.10889674
Charge
0
InChI
InChI=1S/C13H14F3N3O/c1-8-12(17)9(2)19(18-8)7-20-11-5-3-4-10(6-11)13(14,15)16/h3-6H,7,17H2,1-2H3
InChIKey
WFAGMVBFZAUKDR-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1N)C)COc1cccc(c1)C(F)(F)F
Isomeric Smiles
n1(nc(c(c1C)N)C)COc1cc(C(F)(F)F)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5345504
LogD (pH = 7.4)
2.5351033
Log P
2.5351105
Molar Refractivity
80.7384
Polarizability
25.061502
Polar Surface Area
53.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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