Molecule

ID:17840

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FN₃
Molecular Mass
205.2314832
Exact Mass
205.10152562
Charge
0
InChI
InChI=1S/C11H12FN3/c1-8-6-11(13)14-15(8)7-9-4-2-3-5-10(9)12/h2-6H,7H2,1H3,(H2,13,14)
InChIKey
MHUPNZMCYJMVIC-UHFFFAOYSA-N
Canonic Smiles
Nc1nn(c(c1)C)Cc1ccccc1F
Isomeric Smiles
n1(nc(cc1C)N)Cc1c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.216798
LogD (pH = 7.4)
2.2331612
Log P
2.2333739
Molar Refractivity
69.954
Polarizability
21.048378
Polar Surface Area
43.84
Rotatable Bonds
2
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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