Molecule

ID:42246

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₄
Molecular Mass
236.22398
Exact Mass
236.07970687
Charge
0
InChI
InChI=1S/C11H12N2O4/c14-11(12-4-6-17-7-5-12)9-2-1-3-10(8-9)13(15)16/h1-3,8H,4-7H2
InChIKey
ODNSILCPLROTCN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)[N+](=O)[O-])N1CCOCC1
Isomeric Smiles
c1(cccc(c1)C(=O)N1CCOCC1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.99272174
LogD (pH = 7.4)
0.992722
Log P
0.992722
Molar Refractivity
61.329
Polarizability
22.44706
Polar Surface Area
75.36
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