Molecule

ID:24407

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅N₃O₂
Molecular Mass
161.2022
Exact Mass
161.11642674
Charge
0
InChI
InChI=1S/C6H15N3O2/c1-11-5-4-8-3-2-6(10)9-7/h8H,2-5,7H2,1H3,(H,9,10)
InChIKey
XPCHVQCGKAUZNM-UHFFFAOYSA-N
Canonic Smiles
COCCNCCC(=O)NN
Isomeric Smiles
C(=O)(CCNCCOC)NN
Calculated Properties
JChem
Acid pKa
13.12366
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.701359
LogD (pH = 7.4)
-3.2834387
Log P
-1.6282762
Molar Refractivity
42.8272
Polarizability
16.667463
Polar Surface Area
76.38
Rotatable Bonds
6
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