Molecule

ID:31466

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₂O₃
Molecular Mass
216.1814064
Exact Mass
216.05980062
Charge
0
InChI
InChI=1S/C10H10F2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKey
AHUNOOHLCXZVML-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCOc1ccc(cc1F)F
Isomeric Smiles
c1(cc(ccc1OCCCC(=O)O)F)F
Calculated Properties
JChem
Acid pKa
3.5279272
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.13982579
LogD (pH = 7.4)
-1.2622199
Log P
2.1046357
Molar Refractivity
48.493
Polarizability
18.443804
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
No Data Available
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Molecule Details
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References
Bioactivity
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