Molecule

ID:26941

General Information
Structure
Molecular Formula
C₉H₉Cl₂NO₂
Molecular Mass
234.07926
Exact Mass
233.00103389
Charge
0
InChI
InChI=1S/C9H9Cl2NO2/c1-14-8-3-2-6(11)4-7(8)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKey
SPULYDBQXNEJJC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(Cl)ccc1OC
Isomeric Smiles
c1(NC(=O)CCl)cc(ccc1OC)Cl
Calculated Properties
JChem
Acid pKa
11.827181
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1946733
LogD (pH = 7.4)
2.194658
Log P
2.1946733
Molar Refractivity
56.9422
Polarizability
21.515955
Polar Surface Area
38.33
Rotatable Bonds
3
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