Molecule

ID:96813

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆FN₃O₂
Molecular Mass
323.4056432
Exact Mass
323.20090531
Charge
0
InChI
InChI=1S/C17H26FN3O2/c1-17(2,3)23-16(22)21-9-7-13(8-10-21)20(4)15-6-5-12(19)11-14(15)18/h5-6,11,13H,7-10,19H2,1-4H3
InChIKey
GLWDHLXFHIJYCE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)N(C1CCN(CC1)C(=O)OC(C)(C)C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCC(CC1)N(c1ccc(cc1F)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.221591
LogD (pH = 7.4)
2.3205948
Log P
2.322017
Molar Refractivity
90.5549
Polarizability
33.72202
Polar Surface Area
58.8
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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