Molecule

ID:116493

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-2-8-4-5(7)3-6(8)9/h5H,2-4,7H2,1H3
InChIKey
WZJNMVREVPXRTJ-UHFFFAOYSA-N
Canonic Smiles
CCN1CC(CC1=O)N
Isomeric Smiles
C1(=O)N(CC(C1)N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9107473
LogD (pH = 7.4)
-2.550586
Log P
-1.0250032
Molar Refractivity
34.7682
Polarizability
13.794192
Polar Surface Area
46.33
Rotatable Bonds
1
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