Molecule

ID:63608

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13-14/h1-6H,7,12H2
InChIKey
FAWKBOJEHYLCLI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1Cn1nccc1N
Isomeric Smiles
Nc1ccnn1Cc1c(cccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5252572
LogD (pH = 7.4)
1.5286032
Log P
1.528646
Molar Refractivity
63.7441
Polarizability
19.296143
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
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Molecule Details
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References
Bioactivity
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