Molecule

ID:19769

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₃NO₃
Molecular Mass
311.2558896
Exact Mass
311.07692791
Charge
0
InChI
InChI=1S/C15H12F3NO3/c1-21-14(20)9-2-5-11(6-3-9)22-13-7-4-10(8-12(13)19)15(16,17)18/h2-8H,19H2,1H3
InChIKey
AKVLLAAIHBZFBU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Oc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(Oc2ccc(C(=O)OC)cc2)cc1)N)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.84957
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5257945
LogD (pH = 7.4)
3.5259306
Log P
3.5259326
Molar Refractivity
74.9982
Polarizability
27.364332
Polar Surface Area
61.55
Rotatable Bonds
5
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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