Molecule

ID:22084

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃O₄
Molecular Mass
265.2652
Exact Mass
265.10625598
Charge
0
InChI
InChI=1S/C12H15N3O4/c16-15(17)10-1-2-11(13-9-10)14-5-3-12(4-6-14)18-7-8-19-12/h1-2,9H,3-8H2
InChIKey
NMLMJCKWDMDLTR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1)N1CCC2(CC1)OCCO2
Isomeric Smiles
c1(cnc(cc1)N1CCC2(CC1)OCCO2)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.0616512
LogD (pH = 7.4)
2.0618467
Log P
2.0618494
Molar Refractivity
67.8657
Polarizability
25.361288
Polar Surface Area
80.41
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