Molecule

ID:101436

General Information
Structure
MolImage
Molecular Formula
C₉H₇N₃O₃
Molecular Mass
205.17018
Exact Mass
205.0487411
Charge
0
InChI
InChI=1S/C9H7N3O3/c1-6-10-11-9(15-6)7-2-4-8(5-3-7)12(13)14/h2-5H,1H3
InChIKey
GYXVCRNXNQDIMC-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(o1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1c(oc(n1)C)c1ccc([N+](=O)[O-])cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0425045
LogD (pH = 7.4)
1.0425047
Log P
1.0425047
Molar Refractivity
63.8506
Polarizability
19.410194
Polar Surface Area
84.74
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