Molecule

ID:47663

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇F₃N₂
Molecular Mass
258.2826896
Exact Mass
258.13438321
Charge
0
InChI
InChI=1S/C13H17F3N2/c1-9-4-2-3-7-18(9)12-6-5-10(8-11(12)17)13(14,15)16/h5-6,8-9H,2-4,7,17H2,1H3
InChIKey
DARADDOCGJKKFJ-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1c1ccc(cc1N)C(F)(F)F
Isomeric Smiles
N1(c2c(cc(C(F)(F)F)cc2)N)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3457873
LogD (pH = 7.4)
3.3964674
Log P
3.3971534
Molar Refractivity
67.7215
Polarizability
23.973106
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation