Molecule

ID:59482

General Information
Structure
Molecular Formula
C₁₁H₁₂F₃N
Molecular Mass
215.2148896
Exact Mass
215.09218405
Charge
0
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-8(2-4-9)7-15-10-5-6-10/h1-4,10,15H,5-7H2
InChIKey
FCKDAIHABVNEFH-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)CNC1CC1)(F)F
Isomeric Smiles
C(c1ccc(CNC2CC2)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.2627323
LogD (pH = 7.4)
0.981254
Log P
2.8750076
Molar Refractivity
52.4909
Polarizability
19.522217
Polar Surface Area
12.03
Rotatable Bonds
4
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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