Molecule

ID:71216

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁Cl₂N₃O₃
Molecular Mass
316.14004
Exact Mass
315.01774659
Charge
0
InChI
InChI=1S/C12H11Cl2N3O3/c1-20-9-4-2-8(3-5-9)7-16-11(12(13)14)10(6-15-16)17(18)19/h2-6,12H,7H2,1H3
InChIKey
ZSSCAUFSZONPPT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Cn1ncc(c1C(Cl)Cl)[N+](=O)[O-]
Isomeric Smiles
n1(ncc(c1C(Cl)Cl)[N+](=O)[O-])Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0838346
LogD (pH = 7.4)
3.0838354
Log P
3.0838354
Molar Refractivity
88.1604
Polarizability
28.551321
Polar Surface Area
72.87
Rotatable Bonds
5
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