Molecule

ID:25921

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃FN₂O
Molecular Mass
280.2963232
Exact Mass
280.10119127
Charge
0
InChI
InChI=1S/C17H13FN2O/c18-16-9-5-4-8-14(16)10-20-11-15(12-21)17(19-20)13-6-2-1-3-7-13/h1-9,11-12H,10H2
InChIKey
LJPRUYPJWNVVQQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccccc1)Cc1ccccc1F
Isomeric Smiles
c1(c(nn(c1)Cc1c(F)cccc1)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.013835
LogD (pH = 7.4)
4.013859
Log P
4.013859
Molar Refractivity
91.1386
Polarizability
30.992676
Polar Surface Area
34.89
Rotatable Bonds
4
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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