Molecule

ID:84293

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀Cl₂N₂O₂
Molecular Mass
249.0939
Exact Mass
248.01193293
Charge
0
InChI
InChI=1S/C9H10Cl2N2O2/c1-13(2)9(14)15-5-6-3-7(10)12-8(11)4-6/h3-4H,5H2,1-2H3
InChIKey
MKRWDNUAFVKQDQ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)OCc1cc(Cl)nc(c1)Cl)C
Isomeric Smiles
n1c(cc(cc1Cl)COC(=O)N(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1915994
LogD (pH = 7.4)
2.1915994
Log P
2.1915994
Molar Refractivity
60.0708
Polarizability
22.692743
Polar Surface Area
42.43
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