Molecule

ID:24282

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N₃O₂
Molecular Mass
175.22878
Exact Mass
175.1320768
Charge
0
InChI
InChI=1S/C7H17N3O2/c1-12-6-2-4-9-5-3-7(11)10-8/h9H,2-6,8H2,1H3,(H,10,11)
InChIKey
GYBZCMULVAQARB-UHFFFAOYSA-N
Canonic Smiles
COCCCNCCC(=O)NN
Isomeric Smiles
C(=O)(CCNCCCOC)NN
Calculated Properties
JChem
Acid pKa
13.190825
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.7655005
LogD (pH = 7.4)
-3.8060625
Log P
-1.5683165
Molar Refractivity
47.6926
Polarizability
18.49946
Polar Surface Area
76.38
Rotatable Bonds
7
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