Molecule

ID:100247

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁FN₂O₂
Molecular Mass
304.3592432
Exact Mass
304.15870614
Charge
0
InChI
InChI=1S/C17H21FN2O2/c1-5-22-16(21)14-10-15(17(2,3)4)19-20(14)11-12-6-8-13(18)9-7-12/h6-10H,5,11H2,1-4H3
InChIKey
DOFUMFWPMFWIGO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1Cc1ccc(cc1)F)C(C)(C)C
Isomeric Smiles
n1c(C(C)(C)C)cc(n1Cc1ccc(cc1)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.479454
LogD (pH = 7.4)
4.479473
Log P
4.4794736
Molar Refractivity
94.7357
Polarizability
31.718275
Polar Surface Area
44.12
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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