Molecule

ID:18271

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO₃
Molecular Mass
198.1909432
Exact Mass
198.06922243
Charge
0
InChI
InChI=1S/C10H11FO3/c11-8-3-1-4-9(7-8)14-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2,(H,12,13)
InChIKey
IWYAMFRULTXSGV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCOc1cccc(c1)F
Isomeric Smiles
C(=O)(O)CCCOc1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
3.8851597
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.34193143
LogD (pH = 7.4)
-1.2592613
Log P
1.9619337
Molar Refractivity
48.2766
Polarizability
18.630302
Polar Surface Area
46.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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