Molecule
ID:84277
General Information
Molecular Formula
C₁₆H₁₀Cl₂N₄O₃
Molecular Mass
377.1816
Exact Mass
376.01299556
Charge
0
InChI
InChI=1S/C16H10Cl2N4O3/c17-13-5-10(6-14(18)21-13)20-16(24)22-19-7-9-8-25-12-4-2-1-3-11(12)15(9)23/h1-8H,(H2,20,21,22,24)
InChIKey
AHLQVAGGVOXQJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(Cl)nc(c1)Cl)N/N=C/c1coc2c(c1=O)cccc2
Isomeric Smiles
n1c(cc(cc1Cl)NC(=O)N/N=C/c1coc2c(cccc2)c1=O)Cl
Calculated Properties
JChem
Acid pKa
11.045623
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.8597887
LogD (pH = 7.4)
2.8597007
Log P
2.8597898
Molar Refractivity
96.0671
Polarizability
35.05214
Polar Surface Area
92.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...