Molecule

ID:86749

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂N₃O₃
Molecular Mass
340.16144
Exact Mass
339.01774659
Charge
0
InChI
InChI=1S/C14H11Cl2N3O3/c15-10-1-3-11(4-2-10)21-8-13(17)19-22-14(20)9-5-6-18-12(16)7-9/h1-7H,8H2,(H2,17,19)
InChIKey
WQFBLIQUKXJKSY-UHFFFAOYSA-N
Canonic Smiles
N/C(=N\OC(=O)c1ccnc(c1)Cl)/COc1ccc(cc1)Cl
Isomeric Smiles
N(=C(\COc1ccc(cc1)Cl)/N)/OC(=O)c1ccnc(c1)Cl
Calculated Properties
JChem
Acid pKa
18.601675
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.9608643
LogD (pH = 7.4)
2.9609225
Log P
2.9609232
Molar Refractivity
82.7078
Polarizability
31.741665
Polar Surface Area
86.8
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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