Molecule

ID:115648

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₃
Molecular Mass
238.62718
Exact Mass
238.01451977
Charge
0
InChI
InChI=1S/C10H7ClN2O3/c11-5-1-2-7-6(3-5)9(15)10(16)13(7)4-8(12)14/h1-3H,4H2,(H2,12,14)
InChIKey
FCRIBMAHQQLAHJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN1C(=O)C(=O)c2c1ccc(c2)Cl
Isomeric Smiles
N1(C(=O)C(=O)c2c1ccc(c2)Cl)CC(=O)N
Calculated Properties
JChem
Acid pKa
14.232117
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.090695
LogD (pH = 7.4)
0.09069505
Log P
0.090695
Molar Refractivity
56.3025
Polarizability
21.429764
Polar Surface Area
80.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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