Molecule

ID:84278

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂N₄O₃
Molecular Mass
353.1602
Exact Mass
352.01299556
Charge
0
InChI
InChI=1S/C14H10Cl2N4O3/c15-12-4-9(5-13(16)19-12)18-14(21)20-17-6-8-1-2-10-11(3-8)23-7-22-10/h1-6H,7H2,(H2,18,19,20,21)
InChIKey
YNEHKGMMNCYIIR-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)N/N=C/c1ccc2c(c1)OCO2
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)N/N=C/c1cc2c(cc1)OCO2)Cl
Calculated Properties
JChem
Acid pKa
11.060011
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.070661
LogD (pH = 7.4)
3.0705776
Log P
3.070664
Molar Refractivity
88.039
Polarizability
32.25529
Polar Surface Area
84.84
Rotatable Bonds
3
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