Molecule

ID:100244

General Information
Structure
MolImage
Molecular Formula
C₁₁H₃F₅N₂O₂
Molecular Mass
290.145736
Exact Mass
290.01146845
Charge
0
InChI
InChI=1S/C11H3F5N2O2/c12-5-6(13)8(15)10(9(16)7(5)14)20-11(19)4-1-17-3-18-2-4/h1-3H
InChIKey
TZPLYNSLIVPKAH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cncnc1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
n1cncc(c1)C(=O)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.42468
LogD (pH = 7.4)
2.4246805
Log P
2.4246805
Molar Refractivity
55.6072
Polarizability
19.913477
Polar Surface Area
52.08
Rotatable Bonds
3
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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