Molecule

ID:96847

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₂NO
Molecular Mass
185.1706664
Exact Mass
185.06522035
Charge
0
InChI
InChI=1S/C9H9F2NO/c1-6(13)12(2)9-4-3-7(10)5-8(9)11/h3-5H,1-2H3
InChIKey
XWGIBKPPTIGDDI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)N(C(=O)C)C
Isomeric Smiles
N(c1c(cc(cc1)F)F)(C(=O)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3604261
LogD (pH = 7.4)
1.3604261
Log P
1.3604261
Molar Refractivity
44.4697
Polarizability
16.498287
Polar Surface Area
20.31
Rotatable Bonds
1
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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