Molecule

ID:26215

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₂NO
Molecular Mass
173.1599664
Exact Mass
173.06522035
Charge
0
InChI
InChI=1S/C8H9F2NO/c1-5-4-6(12-8(9)10)2-3-7(5)11/h2-4,8H,11H2,1H3
InChIKey
PHSXSKMXVMWZLK-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(c(c1)C)N)F
Isomeric Smiles
C(Oc1cc(c(cc1)N)C)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3978598
LogD (pH = 7.4)
2.4264512
Log P
2.4268281
Molar Refractivity
42.2717
Polarizability
15.277441
Polar Surface Area
35.25
Rotatable Bonds
2
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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