Molecule

ID:24276

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N₃O
Molecular Mass
159.22938
Exact Mass
159.13716218
Charge
0
InChI
InChI=1S/C7H17N3O/c1-3-6(2)9-5-4-7(11)10-8/h6,9H,3-5,8H2,1-2H3,(H,10,11)
InChIKey
YXAUQRJACKMHRE-UHFFFAOYSA-N
Canonic Smiles
CC(NCCC(=O)NN)CC
Isomeric Smiles
C(=O)(CCNC(CC)C)NN
Calculated Properties
JChem
Acid pKa
13.473598
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.503629
LogD (pH = 7.4)
-2.7535155
Log P
-0.28539535
Molar Refractivity
45.4751
Polarizability
17.785816
Polar Surface Area
67.15
Rotatable Bonds
5
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