Molecule

ID:97368

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉F₅N₂O₂
Molecular Mass
368.257576
Exact Mass
368.05841864
Charge
0
InChI
InChI=1S/C17H9F5N2O2/c1-24-6-5-10(23-24)8-3-2-4-9(7-8)17(25)26-16-14(21)12(19)11(18)13(20)15(16)22/h2-7H,1H3
InChIKey
LGHVUZDAZTZCHC-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc(n1)c1cccc(c1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)OC(=O)c1cc(ccc1)c1nn(cc1)C)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8090115
LogD (pH = 7.4)
4.8091254
Log P
4.809127
Molar Refractivity
92.6105
Polarizability
30.666233
Polar Surface Area
44.12
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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