Molecule

ID:130232

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆FNO₂
Molecular Mass
295.3922432
Exact Mass
295.1947573
Charge
0
InChI
InChI=1S/C17H26FNO2/c1-13(2)16(6-4-3-5-7-17(20)21)19-12-14-8-10-15(18)11-9-14/h8-11,13,16,19H,3-7,12H2,1-2H3,(H,20,21)
InChIKey
YZYKBQUWMPUVEN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCC(C(C)C)NCc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)CNC(CCCCCC(=O)O)C(C)C
Calculated Properties
JChem
Acid pKa
4.7461534
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7870317
LogD (pH = 7.4)
1.8432378
Log P
1.8424715
Molar Refractivity
82.2788
Polarizability
32.271408
Polar Surface Area
49.33
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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