Molecule

ID:30805

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
InChIKey
SNBMBGHZPHKNIS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1n[nH]c(c1C)N
Isomeric Smiles
c1(c(n[nH]c1N)c1ccc(cc1)F)C
Calculated Properties
JChem
Acid pKa
15.569461
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.219836
LogD (pH = 7.4)
2.226903
Log P
2.2269938
Molar Refractivity
53.7209
Polarizability
20.625723
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
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Molecule Details
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References
Bioactivity
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