Molecule

ID:52995

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₃
Molecular Mass
196.1750632
Exact Mass
196.05357237
Charge
0
InChI
InChI=1S/C10H9FO3/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChIKey
YMBISXZGELJNMH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1ccccc1F
Isomeric Smiles
c1cc(c(cc1)C(=O)C(=O)OCC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3692248
LogD (pH = 7.4)
2.3692248
Log P
2.3692248
Molar Refractivity
47.9898
Polarizability
18.25383
Polar Surface Area
43.37
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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