Molecule

ID:10230

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-16-12-6-4-5-11(13(12)14)7-10-15-8-2-3-9-15/h4-6H,2-3,7-10,14H2,1H3
InChIKey
QXJOLMXARSDYNA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1N)CCN1CCCC1
Isomeric Smiles
c1cc(c(c(c1)CCN1CCCC1)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.701546
LogD (pH = 7.4)
-0.2617947
Log P
1.622504
Molar Refractivity
68.0603
Polarizability
25.76382
Polar Surface Area
38.49
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