Molecule

ID:63995

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂FNO₄
Molecular Mass
301.2691832
Exact Mass
301.07503609
Charge
0
InChI
InChI=1S/C16H12FNO4/c1-18-11-7-9(17)3-4-10(11)15(21)16(22)14(18)8-2-5-12(19)13(20)6-8/h2-7,19-20,22H,1H3
InChIKey
CVRIRXXIRXCNJM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)n(C)c(c(c2=O)O)c1ccc(c(c1)O)O
Isomeric Smiles
Oc1c(cc(cc1)c1n(c2c(c(=O)c1O)ccc(c2)F)C)O
Calculated Properties
JChem
Acid pKa
7.786725
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
2.3699732
LogD (pH = 7.4)
2.224288
Log P
2.3725138
Molar Refractivity
81.0822
Polarizability
29.12472
Polar Surface Area
81.0
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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