Molecule

ID:41286

General Information
Structure
Molecular Formula
C₁₁H₁₄Cl₂N₂O₂
Molecular Mass
277.14706
Exact Mass
276.04323306
Charge
0
InChI
InChI=1S/C11H13ClN2O2.ClH/c1-2-16-11(15)7-10(13)14-9-5-3-8(12)4-6-9;/h3-7,14H,2,13H2,1H3;1H/b10-7+;
InChIKey
UKEDBZDOOFDTTI-HCUGZAAXSA-N
Canonic Smiles
CCOC(=O)/C=C(/Nc1ccc(cc1)Cl)\N.Cl
Isomeric Smiles
C(=C(\N)/Nc1ccc(Cl)cc1)\C(=O)OCC.Cl
Calculated Properties
JChem
Acid pKa
17.442478
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3125615
LogD (pH = 7.4)
2.3572173
Log P
2.3578174
Molar Refractivity
74.5181
Polarizability
24.21371
Polar Surface Area
64.35
Rotatable Bonds
5
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