Molecule

ID:45028

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₅
Molecular Mass
316.30864
Exact Mass
316.10592162
Charge
0
InChI
InChI=1S/C16H16N2O5/c1-17(22-2)16(19)13-8-9-14(18(20)21)15(10-13)23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKey
JKNTVVNARGYEOW-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(c1c(cc(C(=O)N(OC)C)cc1)OCc1ccccc1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.9291272
LogD (pH = 7.4)
2.9291272
Log P
2.9291272
Molar Refractivity
84.6805
Polarizability
31.554306
Polar Surface Area
84.59
Rotatable Bonds
6
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