Molecule

ID:53933

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₂
Molecular Mass
214.64884
Exact Mass
214.05090528
Charge
0
InChI
InChI=1S/C9H11ClN2O2/c1-4-14-9(13)7-5(2)8(10)12-6(3)11-7/h4H2,1-3H3
InChIKey
PFJNNQORFKVGNM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(C)nc(c1C)Cl
Isomeric Smiles
n1c(nc(c(c1Cl)C)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3044837
LogD (pH = 7.4)
2.304484
Log P
2.304484
Molar Refractivity
54.6559
Polarizability
20.362675
Polar Surface Area
52.08
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