Molecule

ID:124232

General Information
Structure
Molecular Formula
C₁₂H₁₀F₂N₂O₂
Molecular Mass
252.2168064
Exact Mass
252.07103401
Charge
0
InChI
InChI=1S/C12H10F2N2O2/c1-2-18-12(17)8-5-16-11-7(10(8)15)3-6(13)4-9(11)14/h3-5H,2H2,1H3,(H2,15,16)
InChIKey
GWDSFZQMKXDEGB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1N)cc(cc2F)F
Isomeric Smiles
c12c(c(C(=O)OCC)cnc1c(cc(c2)F)F)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5956626
LogD (pH = 7.4)
2.5976381
Log P
2.5976634
Molar Refractivity
61.8864
Polarizability
23.740335
Polar Surface Area
65.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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