Molecule

ID:47061

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂O₃
Molecular Mass
293.14646
Exact Mass
292.03814768
Charge
0
InChI
InChI=1S/C11H13ClN2O3.ClH/c12-8-3-4-11(10(6-8)14(15)16)17-9-2-1-5-13-7-9;/h3-4,6,9,13H,1-2,5,7H2;1H
InChIKey
JYAPDHDUNSBGJL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)[N+](=O)[O-])OC1CCCNC1.Cl
Isomeric Smiles
c1([N+](=O)[O-])c(OC2CNCCC2)ccc(c1)Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.68597335
LogD (pH = 7.4)
0.5256935
Log P
2.4607646
Molar Refractivity
64.5863
Polarizability
24.807154
Polar Surface Area
67.08
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