Molecule

ID:118027

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₃N₂
Molecular Mass
268.2775096
Exact Mass
268.11873315
Charge
0
InChI
InChI=1S/C14H15F3N2/c1-9-7-11(8-18)10(2)19(9)13-5-3-12(4-6-13)14(15,16)17/h3-7H,8,18H2,1-2H3
InChIKey
VXLWAZGLAQNQSQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)c1ccc(cc1)C(F)(F)F)C
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1ccc(C(F)(F)F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7588797
LogD (pH = 7.4)
0.45565182
Log P
2.5908
Molar Refractivity
80.5569
Polarizability
26.148754
Polar Surface Area
30.95
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