Molecule

ID:21669

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c1-9(2)7-8-16-11-5-3-10(4-6-11)12(15)14-13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKey
UIKGYHIJLDOVFP-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)OCCC(C)C
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCC(C)C)NN
Calculated Properties
JChem
Acid pKa
14.507507
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9797096
LogD (pH = 7.4)
1.9806453
Log P
1.9806572
Molar Refractivity
64.5059
Polarizability
24.466934
Polar Surface Area
64.35
Rotatable Bonds
5
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