Molecule

ID:77946

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₂
Molecular Mass
210.27282
Exact Mass
210.13682783
Charge
0
InChI
InChI=1S/C11H18N2O2/c1-12-8-10-2-3-11(15-10)9-13-4-6-14-7-5-13/h2-3,12H,4-9H2,1H3
InChIKey
RVGSMPQAXGUMNM-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(o1)CN1CCOCC1
Isomeric Smiles
O1CCN(CC1)Cc1ccc(o1)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2525065
LogD (pH = 7.4)
-0.7716541
Log P
0.23473872
Molar Refractivity
59.1916
Polarizability
23.09322
Polar Surface Area
37.64
Rotatable Bonds
4
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