Molecule

ID:117543

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN₃
Molecular Mass
167.1835032
Exact Mass
167.08587556
Charge
0
InChI
InChI=1S/C8H10FN3/c1-5-2-3-6(4-7(5)9)12-8(10)11/h2-4H,1H3,(H4,10,11,12)
InChIKey
AWTJHZXPMFIOAC-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Nc1ccc(c(c1)F)C
Isomeric Smiles
C(=N)(Nc1cc(c(cc1)C)F)N
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.8097175
LogD (pH = 7.4)
-0.655055
Log P
1.6033622
Molar Refractivity
57.4494
Polarizability
16.615274
Polar Surface Area
61.9
Rotatable Bonds
1
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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