Molecule

ID:25240

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇F₃N₂
Molecular Mass
258.2826896
Exact Mass
258.13438321
Charge
0
InChI
InChI=1S/C13H17F3N2/c14-13(15,16)11-3-1-2-10(8-11)9-18-6-4-12(17)5-7-18/h1-3,8,12H,4-7,9,17H2
InChIKey
BGXWETBTBPDHLX-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(CN2CCC(CC2)N)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1605134
LogD (pH = 7.4)
-0.7669107
Log P
2.0036688
Molar Refractivity
65.9562
Polarizability
24.689142
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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