Molecule

ID:17316

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅FN₂
Molecular Mass
218.2700032
Exact Mass
218.12192671
Charge
0
InChI
InChI=1S/C13H15FN2/c1-16-8-2-3-13(16)10-15-9-11-4-6-12(14)7-5-11/h2-8,15H,9-10H2,1H3
InChIKey
PBMPUBUXOUWDJG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCc1cccn1C
Isomeric Smiles
c1(n(ccc1)C)CNCc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.13425677
LogD (pH = 7.4)
1.5582187
Log P
2.622331
Molar Refractivity
63.668
Polarizability
24.24226
Polar Surface Area
16.96
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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