Molecule

ID:24808

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O
Molecular Mass
166.22026
Exact Mass
166.11061308
Charge
0
InChI
InChI=1S/C9H14N2O/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5,11H,6-7,10H2,1H3
InChIKey
LOEIZBNJCZKXFJ-UHFFFAOYSA-N
Canonic Smiles
NCCNc1ccc(cc1)OC
Isomeric Smiles
c1(NCCN)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.516081
LogD (pH = 7.4)
-1.666179
Log P
0.49136886
Molar Refractivity
50.6648
Polarizability
19.197113
Polar Surface Area
47.28
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