Molecule

ID:27205

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c1-8(2)10-4-6-11(7-5-10)16-9(3)12(15)14-13/h4-9H,13H2,1-3H3,(H,14,15)
InChIKey
BIIGHQRXOSJTAP-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc(cc1)C(C)C)C
Isomeric Smiles
C(=O)(C(Oc1ccc(cc1)C(C)C)C)NN
Calculated Properties
JChem
Acid pKa
12.519475
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0025153
LogD (pH = 7.4)
2.0038924
Log P
2.003913
Molar Refractivity
63.5968
Polarizability
24.607832
Polar Surface Area
64.35
Rotatable Bonds
4
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