Molecule

ID:20015

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄FNO₃
Molecular Mass
275.2749632
Exact Mass
275.09577153
Charge
0
InChI
InChI=1S/C15H14FNO3/c1-19-15(18)8-10-2-5-12(6-3-10)20-14-7-4-11(16)9-13(14)17/h2-7,9H,8,17H2,1H3
InChIKey
OIUCAJWDDRFOFF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)Oc1ccc(cc1N)F
Isomeric Smiles
c1(c(cc(cc1)F)N)Oc1ccc(CC(=O)OC)cc1
Calculated Properties
JChem
Acid pKa
19.132885
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5708294
LogD (pH = 7.4)
2.5709498
Log P
2.5709512
Molar Refractivity
73.2923
Polarizability
27.764997
Polar Surface Area
61.55
Rotatable Bonds
5
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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