Molecule

ID:99522

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉F₃N₂
Molecular Mass
226.1977696
Exact Mass
226.07178296
Charge
0
InChI
InChI=1S/C11H9F3N2/c1-6-5-9(15)7-3-2-4-8(10(7)16-6)11(12,13)14/h2-5H,1H3,(H2,15,16)
InChIKey
WNPVMBJLPPHGEJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(N)c2c(n1)c(ccc2)C(F)(F)F
Isomeric Smiles
n1c(cc(c2cccc(c12)C(F)(F)F)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6993493
LogD (pH = 7.4)
1.9430184
Log P
2.3111932
Molar Refractivity
55.2449
Polarizability
20.830057
Polar Surface Area
38.91
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
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References
Bioactivity
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