Molecule

ID:30745

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂O
Molecular Mass
218.2269432
Exact Mass
218.0855412
Charge
0
InChI
InChI=1S/C12H11FN2O/c1-8-12(7-16)9(2)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKey
AXOXHQSHPSKAID-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1C)c1ccc(cc1)F
Isomeric Smiles
n1(nc(c(c1C)C=O)C)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.244909
LogD (pH = 7.4)
2.2451963
Log P
2.2452002
Molar Refractivity
60.9613
Polarizability
22.488533
Polar Surface Area
34.89
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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