Molecule

ID:65393

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₂
Molecular Mass
226.31528
Exact Mass
226.16812795
Charge
0
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+,10+
InChIKey
UUHPKKKRSZBQIG-MYJAWHEDSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H]1C[C@@H]2CC[C@H](C1)N2
Isomeric Smiles
C1[C@@H]2C[C@@H](C[C@H](C1)N2)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.215714
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2040112
LogD (pH = 7.4)
-2.054508
Log P
1.0357283
Molar Refractivity
61.8296
Polarizability
24.80672
Polar Surface Area
50.36
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