Molecule

ID:96468

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃N₃
Molecular Mass
241.2124096
Exact Mass
241.082682
Charge
0
InChI
InChI=1S/C11H10F3N3/c1-16(17-6-2-3-7-17)10-5-4-9(8-15-10)11(12,13)14/h2-8H,1H3
InChIKey
ZODCOQJLFPIRGA-UHFFFAOYSA-N
Canonic Smiles
CN(n1cccc1)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
n1(N(c2ccc(cn2)C(F)(F)F)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.580674
LogD (pH = 7.4)
2.7844265
Log P
2.7877595
Molar Refractivity
69.8437
Polarizability
20.828568
Polar Surface Area
21.06
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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