Molecule

ID:83364

General Information
Structure
MolImage
Molecular Formula
C₉H₇N₃O₉
Molecular Mass
301.16658
Exact Mass
301.01822882
Charge
0
InChI
InChI=1S/C9H7N3O9/c1-19-7-5(11(15)16)4(10(13)14)6(12(17)18)8-9(7)21-3-2-20-8/h2-3H2,1H3
InChIKey
YFGISZLHPKIVJQ-UHFFFAOYSA-N
Canonic Smiles
COc1c2OCCOc2c(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(c(c2c(c1[N+](=O)[O-])OCCO2)OC)[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
9
H Donor
0
LogD (pH = 5.5)
1.1486596
LogD (pH = 7.4)
1.1486596
Log P
1.1486596
Molar Refractivity
65.4527
Polarizability
23.387653
Polar Surface Area
165.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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