Molecule

ID:47657

General Information
Structure
Molecular Formula
C₁₁H₁₅F₃N₂
Molecular Mass
232.2454096
Exact Mass
232.11873315
Charge
0
InChI
InChI=1S/C11H15F3N2/c1-3-16(4-2)10-6-5-8(7-9(10)15)11(12,13)14/h5-7H,3-4,15H2,1-2H3
InChIKey
UOPWWBBHXVCBHY-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)C(F)(F)F)CC
Isomeric Smiles
C(c1cc(c(cc1)N(CC)CC)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7534928
LogD (pH = 7.4)
2.8425655
Log P
2.8438282
Molar Refractivity
60.6579
Polarizability
21.042658
Polar Surface Area
29.26
Rotatable Bonds
4
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