Molecule

ID:62773

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅FN₂O₂
Molecular Mass
238.2581032
Exact Mass
238.11175595
Charge
0
InChI
InChI=1S/C12H15FN2O2/c1-14-6-7-15(8-11(14)12(16)17)10-4-2-9(13)3-5-10/h2-5,11H,6-8H2,1H3,(H,16,17)
InChIKey
ZJXIGZPJUCWWLO-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1C(=O)O)c1ccc(cc1)F
Isomeric Smiles
C1(CN(c2ccc(cc2)F)CCN1C)C(=O)O
Calculated Properties
JChem
Acid pKa
1.4909998
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.96167046
LogD (pH = 7.4)
-0.9860607
Log P
-0.9615256
Molar Refractivity
62.583
Polarizability
23.536425
Polar Surface Area
43.78
Rotatable Bonds
2
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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