Molecule

ID:18177

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKey
GHWUZPAXOSXMQB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1nn(c(c1)N)C
Isomeric Smiles
c1c(nn(c1N)C)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8334423
LogD (pH = 7.4)
1.8372004
Log P
1.8372486
Molar Refractivity
63.8957
Polarizability
20.6222
Polar Surface Area
43.84
Rotatable Bonds
1
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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