Molecule

ID:79102

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₂N₂O₂
Molecular Mass
259.08872
Exact Mass
257.99628287
Charge
0
InChI
InChI=1S/C10H8Cl2N2O2/c11-8(9(12)10(15)16)6-13-14-7-4-2-1-3-5-7/h1-6,14H,(H,15,16)
InChIKey
UPOVJFRBUSNHPY-UHFFFAOYSA-N
Canonic Smiles
Cl/C(=C(\C(=O)O)/Cl)/C=N/Nc1ccccc1
Isomeric Smiles
N(=C\C(=C(\C(=O)O)/Cl)\Cl)/Nc1ccccc1
Calculated Properties
JChem
Acid pKa
3.5551689
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.7150509
LogD (pH = 7.4)
-0.6777949
Log P
2.4502442
Molar Refractivity
65.0019
Polarizability
23.62753
Polar Surface Area
61.69
Rotatable Bonds
4
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