Molecule

ID:97662

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₂N₂O
Molecular Mass
224.2067064
Exact Mass
224.07611939
Charge
0
InChI
InChI=1S/C11H10F2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(11(12)13)15-14-9/h2-6,11H,1H3,(H,14,15)
InChIKey
RQTLTZHBBOVPLZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1[nH]nc(c1)C(F)F
Isomeric Smiles
[nH]1nc(cc1c1ccc(cc1)OC)C(F)F
Calculated Properties
JChem
Acid pKa
13.066754
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.233022
LogD (pH = 7.4)
2.2330282
Log P
2.2330291
Molar Refractivity
55.9526
Polarizability
21.83581
Polar Surface Area
37.91
Rotatable Bonds
3
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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