Molecule

ID:35009

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₂
Molecular Mass
228.33116
Exact Mass
228.18377802
Charge
0
InChI
InChI=1S/C12H24N2O2/c1-3-16-10-4-7-13-12-5-8-14(9-6-12)11(2)15/h12-13H,3-10H2,1-2H3
InChIKey
BDWRRYWYDLJVHD-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNC1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(CC1)NCCCOCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.8020751
LogD (pH = 7.4)
-3.3762417
Log P
-0.5693858
Molar Refractivity
65.0732
Polarizability
25.531202
Polar Surface Area
41.57
Rotatable Bonds
6
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