Molecule

ID:78951

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₄O₃
Molecular Mass
284.69892
Exact Mass
284.06761798
Charge
0
InChI
InChI=1S/C11H13ClN4O3/c12-7-11(17)15-5-3-14(4-6-15)10-2-1-9(8-13-10)16(18)19/h1-2,8H,3-7H2
InChIKey
SEYKHICAQJLAHI-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cnc(cc1)N1CCN(CC1)C(=O)CCl)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.009228
LogD (pH = 7.4)
1.0094143
Log P
1.0094167
Molar Refractivity
71.0424
Polarizability
25.96204
Polar Surface Area
82.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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