Molecule

ID:47183

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClF₃NO
Molecular Mass
281.7018096
Exact Mass
281.07942645
Charge
0
InChI
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-5-1-2-6-11(10)17-9-4-3-7-16-8-9;/h1-2,5-6,9,16H,3-4,7-8H2;1H
InChIKey
JLQXQCIYYCCGHU-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1OC1CCCNC1)(F)F.Cl
Isomeric Smiles
C(c1c(OC2CNCCC2)cccc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.36562392
LogD (pH = 7.4)
0.79096055
Log P
2.794584
Molar Refractivity
58.4305
Polarizability
22.087221
Polar Surface Area
21.26
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