Molecule

ID:96471

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃N₂O
Molecular Mass
228.1705896
Exact Mass
228.05104751
Charge
0
InChI
InChI=1S/C10H7F3N2O/c1-6-2-4-7(5-3-6)8-14-9(16-15-8)10(11,12)13/h2-5H,1H3
InChIKey
ZJQCQOQJVRBTCS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1noc(n1)C(F)(F)F
Isomeric Smiles
n1c(C(F)(F)F)onc1c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9214952
LogD (pH = 7.4)
3.9214952
Log P
3.9214952
Molar Refractivity
62.5773
Polarizability
18.695768
Polar Surface Area
38.92
Rotatable Bonds
2
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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