Molecule

ID:31492

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO₃
Molecular Mass
198.1909432
Exact Mass
198.06922243
Charge
0
InChI
InChI=1S/C10H11FO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKey
IDSIMWLXSYHZKA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCOc1ccccc1F
Isomeric Smiles
C(=O)(O)CCCOc1c(F)cccc1
Calculated Properties
JChem
Acid pKa
3.8991272
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3553973
LogD (pH = 7.4)
-1.2521081
Log P
1.9619337
Molar Refractivity
48.2766
Polarizability
18.630627
Polar Surface Area
46.53
Rotatable Bonds
5
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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