Molecule

ID:20007

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂FNO₃
Molecular Mass
261.2483832
Exact Mass
261.08012147
Charge
0
InChI
InChI=1S/C14H12FNO3/c1-18-14(17)9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)16/h2-8H,16H2,1H3
InChIKey
ZODDNCJKQQPLQG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Oc1ccc(cc1N)F
Isomeric Smiles
C(=O)(c1ccc(Oc2c(cc(cc2)F)N)cc1)OC
Calculated Properties
JChem
Acid pKa
19.127645
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7906911
LogD (pH = 7.4)
2.7907848
Log P
2.790786
Molar Refractivity
69.2409
Polarizability
25.907074
Polar Surface Area
61.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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