Molecule

ID:119730

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O
Molecular Mass
238.7133
Exact Mass
238.08729079
Charge
0
InChI
InChI=1S/C12H14N2O.ClH/c1-13-8-10-7-9-5-3-4-6-11(9)14(2)12(10)15;/h3-7,13H,8H2,1-2H3;1H
InChIKey
DFPDEOSIXCZPBA-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc2ccccc2n(c1=O)C.Cl
Isomeric Smiles
c1(=O)n(c2c(cc1CNC)cccc2)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1178622
LogD (pH = 7.4)
-0.6193988
Log P
0.9016863
Molar Refractivity
60.959
Polarizability
23.207207
Polar Surface Area
32.34
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