Molecule

ID:37962

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂O
Molecular Mass
192.1896632
Exact Mass
192.06989114
Charge
0
InChI
InChI=1S/C10H9FN2O/c11-8-3-1-2-7(4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2
InChIKey
UVQLZRKKLPKFID-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(c1)c1cccc(c1)F
Isomeric Smiles
n1c(cc(o1)CN)c1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6012374
LogD (pH = 7.4)
1.0702503
Log P
1.5593385
Molar Refractivity
50.8315
Polarizability
20.276869
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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