Molecule

ID:13509

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-13-8-4-6-11-9-10-5-2-3-7-12-10/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKey
JFILXRCRMWIJCU-UHFFFAOYSA-N
Canonic Smiles
COCCCNCc1ccccn1
Isomeric Smiles
C(c1ccccn1)NCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4049852
LogD (pH = 7.4)
-0.7359831
Log P
0.40837833
Molar Refractivity
52.5358
Polarizability
20.854944
Polar Surface Area
34.15
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