Molecule

ID:112984

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄FNO₃
Molecular Mass
275.2749632
Exact Mass
275.09577153
Charge
0
InChI
InChI=1S/C15H14FNO3/c1-20-15(19)10-6-7-13(12(16)8-10)17-9-11-4-2-3-5-14(11)18/h2-8,17-18H,9H2,1H3
InChIKey
CITOAOCEIHVSEA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)F)NCc1ccccc1O
Isomeric Smiles
C(=O)(c1cc(c(NCc2c(O)cccc2)cc1)F)OC
Calculated Properties
JChem
Acid pKa
9.230754
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0130205
LogD (pH = 7.4)
3.0067837
Log P
3.0131106
Molar Refractivity
75.087
Polarizability
27.612253
Polar Surface Area
58.56
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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