Molecule

ID:10877

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈FNO₅
Molecular Mass
347.3376232
Exact Mass
347.1169009
Charge
0
InChI
InChI=1S/C18H18FNO5/c1-24-15-8-5-12(9-16(15)25-2)18(23)20-14(10-17(21)22)11-3-6-13(19)7-4-11/h3-9,14H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
BAZGVEVIVJMDHK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)NC(c1ccc(cc1)F)CC(=O)O
Isomeric Smiles
C(=O)(NC(CC(=O)O)c1ccc(cc1)F)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
3.6201556
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.49823287
LogD (pH = 7.4)
-0.9617469
Log P
2.374158
Molar Refractivity
88.2427
Polarizability
33.583633
Polar Surface Area
84.86
Rotatable Bonds
7
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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