Molecule

ID:43160

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₄
Molecular Mass
264.27714
Exact Mass
264.111007
Charge
0
InChI
InChI=1S/C13H16N2O4/c1-19-13(16)11-9-10(5-6-12(11)15(17)18)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKey
YMJNFWVGBAEMLV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1[N+](=O)[O-])N1CCCCC1
Isomeric Smiles
c1(c([N+](=O)[O-])ccc(c1)N1CCCCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8751154
LogD (pH = 7.4)
2.8751168
Log P
2.875117
Molar Refractivity
71.9786
Polarizability
26.285507
Polar Surface Area
75.36
Rotatable Bonds
4
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