Molecule

ID:34269

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
InChIKey
LRMAIRSHUYHWRN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1c(N)[nH]nc1C
Isomeric Smiles
c1(c([nH]nc1C)N)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
14.903096
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.439206
LogD (pH = 7.4)
1.4588362
Log P
1.4590924
Molar Refractivity
53.6432
Polarizability
20.623081
Polar Surface Area
54.7
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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