Molecule

ID:37642

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅FN₂O₃
Molecular Mass
290.2896032
Exact Mass
290.10667057
Charge
0
InChI
InChI=1S/C15H15FN2O3/c16-11-1-2-13-12(6-11)9(7-17-13)3-4-18-8-10(15(20)21)5-14(18)19/h1-2,6-7,10,17H,3-5,8H2,(H,20,21)
InChIKey
SAKWBNZRGBQYJB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)CCc1c[nH]c2c1cc(F)cc2
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)CCc1c2c([nH]c1)ccc(c2)F
Calculated Properties
JChem
Acid pKa
4.163135
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.076318875
LogD (pH = 7.4)
-1.7808816
Log P
1.277317
Molar Refractivity
73.911
Polarizability
29.100298
Polar Surface Area
73.4
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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