Molecule

ID:20288

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉F₄NO
Molecular Mass
271.2102728
Exact Mass
271.06202679
Charge
0
InChI
InChI=1S/C13H9F4NO/c14-8-2-1-3-9(6-8)19-10-4-5-12(18)11(7-10)13(15,16)17/h1-7H,18H2
InChIKey
KWGGUBUIGRNPEU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Oc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1cc(F)ccc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6649222
LogD (pH = 7.4)
3.6651545
Log P
3.6651576
Molar Refractivity
63.1893
Polarizability
22.661137
Polar Surface Area
35.25
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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