Molecule

ID:38337

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁FN₂O₃
Molecular Mass
296.3372432
Exact Mass
296.15362076
Charge
0
InChI
InChI=1S/C15H21FN2O3/c1-15(2,3)21-14(20)18-9-7-17(8-10-18)13-11(16)5-4-6-12(13)19/h4-6,19H,7-10H2,1-3H3
InChIKey
VVKZOKZWEJRWRM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1c(O)cccc1F)OC(C)(C)C
Isomeric Smiles
c1(c(c(ccc1)F)N1CCN(CC1)C(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
9.287092
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6676204
LogD (pH = 7.4)
2.662127
Log P
2.667691
Molar Refractivity
78.4344
Polarizability
29.545816
Polar Surface Area
53.01
Rotatable Bonds
3
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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