Molecule

ID:31132

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FN₂O
Molecular Mass
254.2590432
Exact Mass
254.0855412
Charge
0
InChI
InChI=1S/C15H11FN2O/c1-10-6-7-18-13(9-19)15(17-14(18)8-10)11-2-4-12(16)5-3-11/h2-9H,1H3
InChIKey
BJJBRIIUAKQDHD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1ccc(c2)C)c1ccc(cc1)F
Isomeric Smiles
n12c(nc(c1C=O)c1ccc(cc1)F)cc(cc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0625565
LogD (pH = 7.4)
3.081011
Log P
3.0812519
Molar Refractivity
72.4197
Polarizability
27.550503
Polar Surface Area
34.37
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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