Molecule

ID:33088

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h3-7H2,1-2H3
InChIKey
RJFFVAGYPXHKIN-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CC(=O)C
Isomeric Smiles
N1(CC(=O)C)CCN(CC1)C
Calculated Properties
JChem
Acid pKa
18.472246
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.0185914
LogD (pH = 7.4)
-0.44008425
Log P
-0.15510212
Molar Refractivity
45.6739
Polarizability
17.860615
Polar Surface Area
23.55
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