Molecule

ID:53739

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₄O₂
Molecular Mass
264.66776
Exact Mass
264.04140323
Charge
0
InChI
InChI=1S/C11H9ClN4O2/c1-2-18-11(17)7-6-15-10(16-8(7)12)9-13-4-3-5-14-9/h3-6H,2H2,1H3
InChIKey
IPCQJBGFNQPEOT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1Cl)c1ncccn1
Isomeric Smiles
n1c(c(C(=O)OCC)cnc1c1ncccn1)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.4337583
LogD (pH = 7.4)
2.4337583
Log P
2.4337583
Molar Refractivity
87.7126
Polarizability
24.703657
Polar Surface Area
77.86
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