Molecule

ID:57323

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N₃O₂
Molecular Mass
173.2129
Exact Mass
173.11642674
Charge
0
InChI
InChI=1S/C7H15N3O2/c1-6(7(11)9-8)10-2-4-12-5-3-10/h6H,2-5,8H2,1H3,(H,9,11)
InChIKey
QENGROZZUNALCE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(N1CCOCC1)C
Isomeric Smiles
C(=O)(C(N1CCOCC1)C)NN
Calculated Properties
JChem
Acid pKa
12.75876
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.7290651
LogD (pH = 7.4)
-1.103263
Log P
-1.0850017
Molar Refractivity
45.9474
Polarizability
17.78367
Polar Surface Area
67.59
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