Molecule

ID:19384

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₃N
Molecular Mass
229.2414696
Exact Mass
229.10783411
Charge
0
InChI
InChI=1S/C12H14F3N/c13-12(14,15)10-5-3-4-9(8-10)11-6-1-2-7-16-11/h3-5,8,11,16H,1-2,6-7H2
InChIKey
LNGYJPKFIYPWIT-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)C1CCCCN1)(F)F
Isomeric Smiles
C(c1cc(C2NCCCC2)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.13854748
LogD (pH = 7.4)
1.188021
Log P
3.3195763
Molar Refractivity
57.0919
Polarizability
21.339178
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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