Molecule

ID:96183

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂F₂N₂O₂
Molecular Mass
266.2433864
Exact Mass
266.08668407
Charge
0
InChI
InChI=1S/C13H12F2N2O2/c1-3-19-13(18)10-7-16-17(8(10)2)12-5-4-9(14)6-11(12)15/h4-7H,3H2,1-2H3
InChIKey
WVZDFYXWWMSKSH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C)c1ccc(cc1F)F
Isomeric Smiles
n1(c2ccc(cc2F)F)c(c(C(=O)OCC)cn1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9043021
LogD (pH = 7.4)
2.9043143
Log P
2.9043145
Molar Refractivity
66.7761
Polarizability
24.865013
Polar Surface Area
44.12
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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