Molecule

ID:134319

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂F₃NO₄
Molecular Mass
291.2231896
Exact Mass
291.07184253
Charge
0
InChI
InChI=1S/C12H12F3NO4/c1-20-10(18)9(16-11(19)12(13,14)15)6-7-2-4-8(17)5-3-7/h2-5,9,17H,6H2,1H3,(H,16,19)
InChIKey
RPUGHMMKNNBUQA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccc(cc1)O)NC(=O)C(F)(F)F
Isomeric Smiles
COC(=O)C(Cc1ccc(cc1)O)NC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
5.098247
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4340903
LogD (pH = 7.4)
0.9429013
Log P
1.871119
Molar Refractivity
62.3203
Polarizability
23.52544
Polar Surface Area
75.63
Rotatable Bonds
6
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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