Molecule

ID:57396

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁F₃O₅
Molecular Mass
352.2614496
Exact Mass
352.05585811
Charge
0
InChI
InChI=1S/C17H11F3O5/c1-23-10-3-5-11(6-4-10)24-15-14(22)12-7-2-9(21)8-13(12)25-16(15)17(18,19)20/h2-8,21H,1H3
InChIKey
LKMQUOUQJOAPMU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1c(=O)c2ccc(cc2oc1C(F)(F)F)O
Isomeric Smiles
c1c(cc2c(c1)c(=O)c(c(o2)C(F)(F)F)Oc1ccc(cc1)OC)O
Calculated Properties
JChem
Acid pKa
5.1603956
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.0449135
LogD (pH = 7.4)
1.6639031
Log P
3.565633
Molar Refractivity
82.4801
Polarizability
30.250557
Polar Surface Area
64.99
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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