Molecule

ID:45236

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O₃
Molecular Mass
235.23922
Exact Mass
235.09569129
Charge
0
InChI
InChI=1S/C11H13N3O3/c15-11(13-8-2-1-7-12-13)9-3-5-10(6-4-9)14(16)17/h3-6,12H,1-2,7-8H2
InChIKey
PVERFKIXBCALFK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCCN1
Isomeric Smiles
c1(ccc(cc1)C(=O)N1CCCCN1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3074155
LogD (pH = 7.4)
1.3203764
Log P
1.3205442
Molar Refractivity
73.7104
Polarizability
23.139162
Polar Surface Area
78.16
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