Molecule

ID:95205

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂F₃NO
Molecular Mass
207.1928896
Exact Mass
207.08709867
Charge
0
InChI
InChI=1S/C9H12F3NO/c10-9(11,12)8(14)4-7-13-5-2-1-3-6-13/h4,7H,1-3,5-6H2
InChIKey
YRUDOVWQRCMGOY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)/C=C/N1CCCCC1
Isomeric Smiles
N1(/C=C/C(=O)C(F)(F)F)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2305434
LogD (pH = 7.4)
2.4300609
Log P
2.4333026
Molar Refractivity
47.6992
Polarizability
16.96838
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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