Molecule

ID:45547

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₂N₂O₂
Molecular Mass
278.2540864
Exact Mass
278.08668407
Charge
0
InChI
InChI=1S/C14H12F2N2O2/c15-9-2-1-3-11(6-9)20-8-14(19)18-13-7-10(17)4-5-12(13)16/h1-7H,8,17H2,(H,18,19)
InChIKey
LZPVKDSXNXAXRN-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1cccc(c1)F
Isomeric Smiles
c1(NC(=O)COc2cc(F)ccc2)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.161054
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.180814
LogD (pH = 7.4)
2.1842215
Log P
2.1843376
Molar Refractivity
72.0163
Polarizability
26.040945
Polar Surface Area
64.35
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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