Molecule

ID:100266

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃F₃N₂
Molecular Mass
266.2616296
Exact Mass
266.10308309
Charge
0
InChI
InChI=1S/C14H13F3N2/c1-18-8-10-2-4-11(5-3-10)13-7-6-12(9-19-13)14(15,16)17/h2-7,9,18H,8H2,1H3
InChIKey
LCAGYYAWWFGGQU-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
n1cc(ccc1c1ccc(cc1)CNC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.042419445
LogD (pH = 7.4)
1.1007102
Log P
3.2248464
Molar Refractivity
67.887
Polarizability
26.499104
Polar Surface Area
24.92
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