Molecule

ID:53738

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClN₃O₂
Molecular Mass
263.6797
Exact Mass
263.04615426
Charge
0
InChI
InChI=1S/C12H10ClN3O2/c1-2-18-12(17)9-7-15-11(16-10(9)13)8-3-5-14-6-4-8/h3-7H,2H2,1H3
InChIKey
ZHGXCAJGZVCTHU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1Cl)c1ccncc1
Isomeric Smiles
n1c(c(C(=O)OCC)cnc1c1ccncc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.425586
LogD (pH = 7.4)
2.4271169
Log P
2.4271364
Molar Refractivity
78.6165
Polarizability
26.173864
Polar Surface Area
64.97
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