Molecule

ID:86767

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂N₃O
Molecular Mass
294.13606
Exact Mass
293.01226728
Charge
0
InChI
InChI=1S/C13H9Cl2N3O/c14-9-6-10(11(15)17-7-9)13(19)18-12(16)8-4-2-1-3-5-8/h1-7H,(H2,16,18,19)
InChIKey
XAECNTXABOJLLF-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)C(=O)NC(=N)c1ccccc1)Cl
Isomeric Smiles
N(C(=O)c1cc(cnc1Cl)Cl)C(=N)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.071221
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8849719
LogD (pH = 7.4)
2.8817563
Log P
2.8899245
Molar Refractivity
86.3588
Polarizability
28.297674
Polar Surface Area
65.84
Rotatable Bonds
2
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