Molecule

ID:9220

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₃NO
Molecular Mass
203.1611296
Exact Mass
203.05579854
Charge
0
InChI
InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
HNIPNANLYHXYDE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(=O)(Nc1cccc(c1)C(F)(F)F)C
Calculated Properties
JChem
Acid pKa
14.099768
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0888047
LogD (pH = 7.4)
2.0888045
Log P
2.0888047
Molar Refractivity
46.8947
Polarizability
16.426617
Polar Surface Area
29.1
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
No Data Available
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Molecule Details
References
Bioactivity
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