Molecule

ID:99032

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₂NO₃
Molecular Mass
243.2067464
Exact Mass
243.07069966
Charge
0
InChI
InChI=1S/C11H11F2NO3/c1-6(15)14-10(11(16)17)4-7-2-8(12)5-9(13)3-7/h2-3,5,10H,4H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKey
WAJHNNVGLZYPIO-JTQLQIEISA-N
Canonic Smiles
OC(=O)[C@H](Cc1cc(F)cc(c1)F)NC(=O)C
Isomeric Smiles
N([C@@H](Cc1cc(cc(c1)F)F)C(=O)O)C(=O)C
Calculated Properties
JChem
Acid pKa
3.3148143
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9869298
LogD (pH = 7.4)
-2.2410543
Log P
1.1818656
Molar Refractivity
54.9929
Polarizability
20.838448
Polar Surface Area
66.4
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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