Molecule

ID:114494

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO₃
Molecular Mass
235.2111032
Exact Mass
235.06447141
Charge
0
InChI
InChI=1S/C12H10FNO3/c1-2-16-12(15)11-14-7-10(17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKey
LDOGOQBEYDOXAT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncc(o1)c1ccc(cc1)F
Isomeric Smiles
c1(ncc(o1)c1ccc(cc1)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1628954
LogD (pH = 7.4)
2.1628954
Log P
2.1628954
Molar Refractivity
58.2486
Polarizability
23.227705
Polar Surface Area
52.33
Rotatable Bonds
4
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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