Molecule

ID:117089

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FN₃
Molecular Mass
191.2049032
Exact Mass
191.08587556
Charge
0
InChI
InChI=1S/C10H10FN3/c11-8-3-1-7(2-4-8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2,(H,13,14)
InChIKey
AJSVWOCYSPNHEA-UHFFFAOYSA-N
Canonic Smiles
NCc1[nH]cc(n1)c1ccc(cc1)F
Isomeric Smiles
n1c(c[nH]c1CN)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
13.0087385
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2537513
LogD (pH = 7.4)
0.43352747
Log P
1.2294883
Molar Refractivity
51.7938
Polarizability
21.104374
Polar Surface Area
54.7
Rotatable Bonds
2
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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