Molecule

ID:30534

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)7-14-6-5-10(12)13-14/h1-6H,7H2,(H2,12,13)
InChIKey
WJLNDRKSXLMBKK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccn(n1)Cc1ccccc1F
Isomeric Smiles
n1n(ccc1N)Cc1c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0279696
LogD (pH = 7.4)
2.0337384
Log P
2.0338125
Molar Refractivity
64.8043
Polarizability
19.290709
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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