Molecule

ID:16006

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉FN₂O
Molecular Mass
298.3546632
Exact Mass
298.14814146
Charge
0
InChI
InChI=1S/C18H19FN2O/c19-17-12-16(14-22)6-7-18(17)21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2
InChIKey
YCFZOGSISOTMKW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)F)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)c1cc(c(cc1)N1CCN(CC1)Cc1ccccc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2748885
LogD (pH = 7.4)
3.4275289
Log P
3.5080867
Molar Refractivity
87.9497
Polarizability
32.607388
Polar Surface Area
23.55
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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