Molecule

ID:15460

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FO₂
Molecular Mass
194.2022432
Exact Mass
194.07430781
Charge
0
InChI
InChI=1S/C11H11FO2/c12-10-4-3-9(6-13)11(5-10)14-7-8-1-2-8/h3-6,8H,1-2,7H2
InChIKey
TYIXOSIQWBJFAS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1OCC1CC1)F
Isomeric Smiles
c1(c(ccc(c1)F)C=O)OCC1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4513562
LogD (pH = 7.4)
2.4513562
Log P
2.4513562
Molar Refractivity
51.2636
Polarizability
19.226252
Polar Surface Area
26.3
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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