Molecule

ID:99463

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO₂
Molecular Mass
182.1915432
Exact Mass
182.07430781
Charge
0
InChI
InChI=1S/C10H11FO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKey
OFWMNCYZASDVSS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccccc1F
Isomeric Smiles
O=C(Cc1c(cccc1)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.256398
LogD (pH = 7.4)
2.256398
Log P
2.256398
Molar Refractivity
47.0997
Polarizability
18.140928
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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