Molecule

ID:53580

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂
Molecular Mass
270.3445632
Exact Mass
270.15322684
Charge
0
InChI
InChI=1S/C17H19FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-13H,3-4H2,1-2H3/b19-13+
InChIKey
FLFSBDVEUBSBRL-CPNJWEJPSA-N
Canonic Smiles
CCN(c1ccc(cc1)/C=N/c1ccc(cc1)F)CC
Isomeric Smiles
N(=C\c1ccc(N(CC)CC)cc1)/c1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6647778
LogD (pH = 7.4)
4.809672
Log P
4.8118687
Molar Refractivity
85.5298
Polarizability
30.617777
Polar Surface Area
15.6
Rotatable Bonds
5
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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