Molecule

ID:97849

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FO₂
Molecular Mass
194.2022432
Exact Mass
194.07430781
Charge
0
InChI
InChI=1S/C11H11FO2/c12-9-5-2-1-4-8(9)11(10(13)14)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKey
SUVDKDZUAMNVGY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(CCC1)c1ccccc1F
Isomeric Smiles
Fc1ccccc1C1(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
3.9484837
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.274539
LogD (pH = 7.4)
-0.35432956
Log P
2.8335395
Molar Refractivity
49.4563
Polarizability
19.013664
Polar Surface Area
37.3
Rotatable Bonds
2
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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