Molecule

ID:19226

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FN₃
Molecular Mass
205.2314832
Exact Mass
205.10152562
Charge
0
InChI
InChI=1S/C11H12FN3/c1-15-7-6-14-11(15)10(13)8-2-4-9(12)5-3-8/h2-7,10H,13H2,1H3
InChIKey
FBLUMZZMIGPTBP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(c1nccn1C)N
Isomeric Smiles
c1(n(ccn1)C)C(c1ccc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.70604634
LogD (pH = 7.4)
0.911079
Log P
1.356518
Molar Refractivity
56.2842
Polarizability
21.512827
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
No Data Available
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Molecule Details
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References
Bioactivity
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