Molecule
ID:121711
General Information
Molecular Formula
C₁₀H₈ClN₃O₂
Molecular Mass
237.64242
Exact Mass
237.03050419
Charge
0
InChI
InChI=1S/C10H8ClN3O2/c11-6-2-1-3-7(4-6)14-8(12)5-9(15)13-10(14)16/h1-5H,12H2,(H,13,15,16)
InChIKey
LLNXXVFAHIKVGA-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)n1c(N)cc(=O)[nH]c1=O
Isomeric Smiles
n1(c(=O)[nH]c(=O)cc1N)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
8.887993
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1290087
LogD (pH = 7.4)
1.1154559
Log P
1.1291889
Molar Refractivity
68.3844
Polarizability
22.216957
Polar Surface Area
75.43
Rotatable Bonds
1
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...