Molecule

ID:51043

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-2-15-11(14)10-5-3-7-13(9-10)8-4-6-12/h10H,2-9,12H2,1H3
InChIKey
BCDSXCKZQZRAQI-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCCC(C1)C(=O)OCC
Isomeric Smiles
C1(C(=O)OCC)CN(CCCN)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.416263
LogD (pH = 7.4)
-3.2171311
Log P
0.1848655
Molar Refractivity
60.5489
Polarizability
24.078953
Polar Surface Area
55.56
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