Molecule

ID:26236

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₂NO
Molecular Mass
173.1599664
Exact Mass
173.06522035
Charge
0
InChI
InChI=1S/C8H9F2NO/c1-5-2-3-7(6(11)4-5)12-8(9)10/h2-4,8H,11H2,1H3
InChIKey
IKGVZZIMSLQACZ-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1N)C)F
Isomeric Smiles
c1(c(cc(cc1)C)N)OC(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4156625
LogD (pH = 7.4)
2.4266858
Log P
2.4268281
Molar Refractivity
42.2717
Polarizability
15.278813
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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