Molecule

ID:34561

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃FN₂O
Molecular Mass
290.3757232
Exact Mass
290.17944159
Charge
0
InChI
InChI=1S/C17H23FN2O/c18-16-3-1-15(2-4-16)17(21)20-11-7-14(8-12-20)13-5-9-19-10-6-13/h1-4,13-14,19H,5-12H2
InChIKey
RTFWXIGEPYHVNZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)F)N1CCC(CC1)C1CCNCC1
Isomeric Smiles
C1(CCN(CC1)C(=O)c1ccc(cc1)F)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0885998
LogD (pH = 7.4)
-0.63175017
Log P
2.142969
Molar Refractivity
82.2166
Polarizability
31.29832
Polar Surface Area
32.34
Rotatable Bonds
2
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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