Molecule

ID:47672

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉F₃N₂
Molecular Mass
272.3092696
Exact Mass
272.15003328
Charge
0
InChI
InChI=1S/C14H19F3N2/c1-2-11-5-3-4-8-19(11)13-7-6-10(9-12(13)18)14(15,16)17/h6-7,9,11H,2-5,8,18H2,1H3
InChIKey
XSMQCEWYJRYLGT-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ccc(cc1N)C(F)(F)F
Isomeric Smiles
N1(c2c(cc(C(F)(F)F)cc2)N)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.84574
LogD (pH = 7.4)
3.918662
Log P
3.9196758
Molar Refractivity
72.2455
Polarizability
25.792343
Polar Surface Area
29.26
Rotatable Bonds
3
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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