Molecule

ID:88093

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₃
Molecular Mass
242.65894
Exact Mass
242.0458199
Charge
0
InChI
InChI=1S/C10H11ClN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKey
ZPKGWYXJULKUEH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1N1CCOCC1)[N+](=O)[O-]
Isomeric Smiles
N1(c2c(cc(cc2)[N+](=O)[O-])Cl)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4068182
LogD (pH = 7.4)
2.4068182
Log P
2.4068182
Molar Refractivity
61.6906
Polarizability
22.640902
Polar Surface Area
58.29
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