Molecule

ID:95390

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClF₃N₃
Molecular Mass
301.6947496
Exact Mass
301.05935971
Charge
0
InChI
InChI=1S/C13H11ClF3N3/c1-20(8-9-3-2-4-18-6-9)12-11(14)5-10(7-19-12)13(15,16)17/h2-7H,8H2,1H3
InChIKey
DUWTVBFFMWKSJI-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncc(cc1Cl)C(F)(F)F)Cc1cccnc1
Isomeric Smiles
n1c(c(cc(c1)C(F)(F)F)Cl)N(Cc1cnccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3699486
LogD (pH = 7.4)
3.4457014
Log P
3.4467685
Molar Refractivity
71.8774
Polarizability
26.00534
Polar Surface Area
29.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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