Molecule

ID:59593

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₂NO₄
Molecular Mass
295.2382464
Exact Mass
295.06561428
Charge
0
InChI
InChI=1S/C14H11F2NO4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)
InChIKey
WQJZXSSAMGZVTM-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
Isomeric Smiles
n1(c2c(c(=O)c(c1)C(=O)O)cc(c(c2OC)F)F)C1CC1
Calculated Properties
JChem
Acid pKa
5.6691003
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.7418308
LogD (pH = 7.4)
0.23435804
Log P
1.9664025
Molar Refractivity
69.435
Polarizability
25.353115
Polar Surface Area
66.84
Rotatable Bonds
3
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
References
Bioactivity
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