Molecule

ID:81749

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c18-15(11-16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(19)20/h1-9,15-16,18H,10-11H2
InChIKey
JDCPMOWSBPLTHF-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)[N+](=O)[O-])CNCc1ccccc1
Isomeric Smiles
N(Cc1ccccc1)CC(c1ccc(cc1)[N+](=O)[O-])O
Calculated Properties
JChem
Acid pKa
13.937864
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.5205229
LogD (pH = 7.4)
0.86302793
Log P
2.565717
Molar Refractivity
77.2058
Polarizability
29.438612
Polar Surface Area
78.08
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