Molecule

ID:68159

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m0/s1
InChIKey
NZTWGWFHWJARJX-JTQLQIEISA-N
Canonic Smiles
CC([C@@H]1CNCCN1C(=O)OC(C)(C)C)C
Isomeric Smiles
N1([C@@H](CNCC1)C(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5289066
LogD (pH = 7.4)
1.2007632
Log P
1.8584565
Molar Refractivity
63.8583
Polarizability
25.531202
Polar Surface Area
41.57
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