Molecule

ID:75946

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂
Molecular Mass
228.67542
Exact Mass
228.06655535
Charge
0
InChI
InChI=1S/C10H13ClN2O2/c1-10(2,3)12-8-5-4-7(11)6-9(8)13(14)15/h4-6,12H,1-3H3
InChIKey
ADGFDYKYRZVRQG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Isomeric Smiles
N(c1c(cc(cc1)Cl)[N+](=O)[O-])C(C)(C)C
Calculated Properties
JChem
Acid pKa
12.483327
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6940124
LogD (pH = 7.4)
3.6940124
Log P
3.6940124
Molar Refractivity
62.1869
Polarizability
22.596273
Polar Surface Area
57.85
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