Molecule

ID:38323

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉FN₂O
Molecular Mass
298.3546632
Exact Mass
298.14814146
Charge
0
InChI
InChI=1S/C18H19FN2O/c19-17-7-4-8-18(16(17)14-22)21-11-9-20(10-12-21)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKey
JWQUOAVDCIQLCK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)cccc1N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)c1c(cccc1F)N1CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9165627
LogD (pH = 7.4)
3.3364623
Log P
3.5080867
Molar Refractivity
87.9497
Polarizability
32.60949
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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