Molecule

ID:59543

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈F₂O₃
Molecular Mass
274.2190264
Exact Mass
274.04415056
Charge
0
InChI
InChI=1S/C15H8F2O3/c16-10-3-9(4-11(17)6-10)13-5-8-1-2-12(18)7-14(8)20-15(13)19/h1-7,18H
InChIKey
NUOGQJJNVLNKAC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c(c2)c1cc(F)cc(c1)F
Isomeric Smiles
c1(c(=O)oc2c(c1)ccc(c2)O)c1cc(cc(c1)F)F
Calculated Properties
JChem
Acid pKa
7.7749257
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4310007
LogD (pH = 7.4)
3.281612
Log P
3.433286
Molar Refractivity
68.4144
Polarizability
25.372524
Polar Surface Area
46.53
Rotatable Bonds
1
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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