Molecule

ID:64652

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₂N₃O₂
Molecular Mass
290.14582
Exact Mass
289.03848203
Charge
0
InChI
InChI=1S/C11H13Cl2N3O2/c1-11(2,3)18-10(17)16-4-6-7(5-16)14-9(13)15-8(6)12/h4-5H2,1-3H3
InChIKey
WUYSMOCOXBLFKK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2CN(Cc2c(n1)Cl)C(=O)OC(C)(C)C
Isomeric Smiles
c12c(nc(nc1CN(C(=O)OC(C)(C)C)C2)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4567487
LogD (pH = 7.4)
2.4567487
Log P
2.4567487
Molar Refractivity
70.3625
Polarizability
26.690746
Polar Surface Area
55.32
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