Molecule

ID:30767

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(6-11)14-8-9(7-13)5-12(14)15/h2-4,6,9H,5,7-8,13H2,1H3
InChIKey
FVXAEMBHHJCAHJ-UHFFFAOYSA-N
Canonic Smiles
NCC1CC(=O)N(C1)c1cccc(c1)OC
Isomeric Smiles
N1(C(=O)CC(C1)CN)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0011704
LogD (pH = 7.4)
-2.2765043
Log P
0.0073230905
Molar Refractivity
61.3544
Polarizability
24.046055
Polar Surface Area
55.56
Rotatable Bonds
3
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