Molecule

ID:47798

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(18)9-12(13)14(15,16)17/h6-7,9,11H,2-5,8,18H2,1H3
InChIKey
XGXGFWHGBYYPTG-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(c(N2C(CC)CCCC2)ccc(c1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8023062
LogD (pH = 7.4)
3.9179797
Log P
3.9196758
Molar Refractivity
72.2455
Polarizability
25.79172
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
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