Molecule

ID:34890

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN₃O₃
Molecular Mass
289.7585
Exact Mass
289.1193192
Charge
0
InChI
InChI=1S/C12H20ClN3O3/c1-9-4-6-16(7-5-9)11(17)2-3-12(18)19-15-10(14)8-13/h9H,2-8H2,1H3,(H2,14,15)
InChIKey
WKGWYDXVZNKCJG-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N\OC(=O)CCC(=O)N1CCC(CC1)C)/N
Isomeric Smiles
N1(C(=O)CCC(=O)O/N=C(/N)\CCl)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3190591
LogD (pH = 7.4)
0.31924996
Log P
0.3192524
Molar Refractivity
71.5139
Polarizability
27.88573
Polar Surface Area
84.99
Rotatable Bonds
6
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