Molecule

ID:93508

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClF₃N₃
Molecular Mass
279.6892296
Exact Mass
279.07500977
Charge
0
InChI
InChI=1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2
InChIKey
PKKLERQDFWUWNM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCNCCC1)C(F)(F)F
Isomeric Smiles
n1c(c(cc(c1)C(F)(F)F)Cl)N1CCNCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.71494955
LogD (pH = 7.4)
0.34732386
Log P
2.4639993
Molar Refractivity
65.0425
Polarizability
23.688051
Polar Surface Area
28.16
Rotatable Bonds
2
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