Molecule

ID:120540

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c1-3-4-5-12(15)14-10-7-6-9(13)8-11(10)16-2/h6-8H,3-5,13H2,1-2H3,(H,14,15)
InChIKey
HCZOTSLSKOFUMC-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)Nc1ccc(cc1OC)N
Isomeric Smiles
N(c1c(cc(N)cc1)OC)C(=O)CCCC
Calculated Properties
JChem
Acid pKa
13.388552
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8074864
LogD (pH = 7.4)
1.8139486
Log P
1.8140322
Molar Refractivity
65.9135
Polarizability
24.390364
Polar Surface Area
64.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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