Molecule

ID:21458

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃N
Molecular Mass
201.1883096
Exact Mass
201.07653399
Charge
0
InChI
InChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6,14H,1-2,5H2
InChIKey
RGZZKZNESVFQKR-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)NCCC2)(F)F
Isomeric Smiles
c1(ccc2c(c1)NCCC2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7738054
LogD (pH = 7.4)
2.8078773
Log P
2.8083296
Molar Refractivity
50.1361
Polarizability
17.293608
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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