Molecule

ID:77095

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-11-5-3-2-4-10(11)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKey
QCEOIWAYVGFLBM-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(=O)N1CCNCC1
Isomeric Smiles
N1CCN(CC1)C(=O)c1ccccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6963718
LogD (pH = 7.4)
0.017518234
Log P
0.5776386
Molar Refractivity
62.1484
Polarizability
23.843956
Polar Surface Area
41.57
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