Molecule

ID:12654

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇FN₂
Molecular Mass
268.3286832
Exact Mass
268.13757677
Charge
0
InChI
InChI=1S/C17H17FN2/c18-15-7-5-13(6-8-15)11-19-10-9-14-12-20-17-4-2-1-3-16(14)17/h1-8,12,19-20H,9-11H2
InChIKey
GNAOYSCNQZGVBP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCCc1c[nH]c2c1cccc2
Isomeric Smiles
c1cccc2c1[nH]cc2CCNCc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.167559
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.5774608
LogD (pH = 7.4)
1.4078223
Log P
3.786193
Molar Refractivity
79.9765
Polarizability
31.788254
Polar Surface Area
27.82
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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