Molecule

ID:115277

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂O
Molecular Mass
192.1896632
Exact Mass
192.06989114
Charge
0
InChI
InChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)10-5-7(6-12)13-14-10/h1-5H,6,12H2
InChIKey
HSOXYBOLSDBFKL-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(c1)c1ccccc1F
Isomeric Smiles
c1(cc(no1)CN)c1c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1968292
LogD (pH = 7.4)
0.49256518
Log P
1.25496
Molar Refractivity
50.6813
Polarizability
20.28528
Polar Surface Area
52.05
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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