Molecule

ID:87500

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-5-12(13)7-6-8-14(9-12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3
InChIKey
SSUDXAJZFRPCNY-UHFFFAOYSA-N
Canonic Smiles
CCC1(N)CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(CC)(N)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4429264
LogD (pH = 7.4)
-0.6716187
Log P
1.5619944
Molar Refractivity
64.0117
Polarizability
25.531202
Polar Surface Area
55.56
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