Molecule

ID:34287

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₄O₃
Molecular Mass
306.36018
Exact Mass
306.16919058
Charge
0
InChI
InChI=1S/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18)
InChIKey
YQDHCCVUYCIGSW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(NC(=O)c1ccccc1)CCCNC(=N)N
Isomeric Smiles
c1ccccc1C(=O)NC(CCCNC(=N)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
15.026189
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-1.7286516
LogD (pH = 7.4)
-1.7258435
Log P
0.68677163
Molar Refractivity
93.5551
Polarizability
31.691725
Polar Surface Area
117.3
Rotatable Bonds
9
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