Molecule

ID:93256

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₃NO₂
Molecular Mass
205.1339496
Exact Mass
205.0350631
Charge
0
InChI
InChI=1S/C8H6F3NO2/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2,7H,12H2,(H,13,14)
InChIKey
SKPOIZISALNBFF-UHFFFAOYSA-N
Canonic Smiles
NC(c1cc(F)c(c(c1)F)F)C(=O)O
Isomeric Smiles
Fc1c(cc(cc1F)C(N)C(=O)O)F
Calculated Properties
JChem
Acid pKa
0.7197447
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0458096
LogD (pH = 7.4)
-1.0760436
Log P
-1.0455483
Molar Refractivity
41.0105
Polarizability
15.475353
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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