Molecule

ID:6607

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₃NO₂
Molecular Mass
229.1553496
Exact Mass
229.0350631
Charge
0
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2
InChIKey
JBNOVHJXQSHGRL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Isomeric Smiles
o1c(=O)cc(c2c1cc(cc2)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6177311
LogD (pH = 7.4)
1.6182487
Log P
1.6182554
Molar Refractivity
51.4635
Polarizability
18.135283
Polar Surface Area
52.32
Rotatable Bonds
1
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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