Molecule

ID:41447

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁Cl₂N₃O₂
Molecular Mass
300.14064
Exact Mass
299.02283197
Charge
0
InChI
InChI=1S/C12H11Cl2N3O2/c1-2-19-12(18)8-6-16-17(11(8)15)10-4-3-7(13)5-9(10)14/h3-6H,2,15H2,1H3
InChIKey
XOBRIYKLMQJCBQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1N)c1ccc(cc1Cl)Cl
Isomeric Smiles
n1(c(c(cn1)C(=O)OCC)N)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5377007
LogD (pH = 7.4)
3.5378025
Log P
3.5378036
Molar Refractivity
74.7569
Polarizability
28.62891
Polar Surface Area
70.14
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