Molecule

ID:30723

General Information
Structure
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c1-14-9(6-13-10(14)12)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,13)
InChIKey
KLQPCXMAZXYSBR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cnc(n1C)N
Isomeric Smiles
n1(c(cnc1N)c1ccc(cc1)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5726506
LogD (pH = 7.4)
0.7580105
Log P
1.6437043
Molar Refractivity
53.3133
Polarizability
20.621868
Polar Surface Area
43.84
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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