Molecule

ID:18622

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FN₃
Molecular Mass
219.2580632
Exact Mass
219.11717568
Charge
0
InChI
InChI=1S/C12H14FN3/c1-8-12(7-14)9(2)16(15-8)11-5-3-10(13)4-6-11/h3-6H,7,14H2,1-2H3
InChIKey
JRTROBVFWOFOGT-UHFFFAOYSA-N
Canonic Smiles
NCc1c(C)nn(c1C)c1ccc(cc1)F
Isomeric Smiles
n1(nc(c(c1C)CN)C)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2596235
LogD (pH = 7.4)
0.0163586
Log P
1.6584662
Molar Refractivity
62.8507
Polarizability
23.939985
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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