Molecule

ID:31907

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₂NO₂
Molecular Mass
189.1593664
Exact Mass
189.06013497
Charge
0
InChI
InChI=1S/C8H9F2NO2/c1-12-5-2-3-7(6(11)4-5)13-8(9)10/h2-4,8H,11H2,1H3
InChIKey
GJTGLFLORLUWRM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)OC(F)F
Isomeric Smiles
c1(c(cc(cc1)OC)N)OC(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.753379
LogD (pH = 7.4)
1.7557058
Log P
1.7557355
Molar Refractivity
43.6937
Polarizability
16.105959
Polar Surface Area
44.48
Rotatable Bonds
3
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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