Molecule

ID:93662

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₂N₂O₂
Molecular Mass
252.2168064
Exact Mass
252.07103401
Charge
0
InChI
InChI=1S/C12H10F2N2O2/c1-17-9-6-10(18-2)16-12(15-9)11-7(13)4-3-5-8(11)14/h3-6H,1-2H3
InChIKey
IPQCTNRJKRBBIH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)c1c(F)cccc1F
Isomeric Smiles
n1c(cc(nc1c1c(cccc1F)F)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.5525713
LogD (pH = 7.4)
3.5525854
Log P
3.5525856
Molar Refractivity
72.1196
Polarizability
23.292612
Polar Surface Area
44.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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